Geometry & MOs

Info

ID:	304836
PubChem CID:	124766223
Reduced:	ClN4O5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	538.198298
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	10.17
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6R,7R)-3-[(4-chlorophenyl)methyl]-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC(C)(C)C)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC(C)(C)C)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):