Geometry & MOs

Info

ID:	304958
PubChem CID:	124766359
Reduced:	N3O4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	546.28422
ΔH_f, kcal/mol:	-170.63
Dipole, Da:	7.13
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6R,7R)-2-N-tert-butyl-3-(4-cyclohexylphenyl)-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

CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4CCCC4)C(=O)NC5CCCCC5

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

CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4CCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):