Geometry & MOs

Info

ID:	304740
PubChem CID:	124766116
Reduced:	NO6C26H43 (1)
Stoich.:	AB6C26D43 (1)
Weight, g/mol:	548.263485
ΔH_f, kcal/mol:	-317.3
Dipole, Da:	4.61
IP(EA), eV:	-9.81(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-2-N-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-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

CCCCCCCCNC(=O)[C@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5

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

CCCCCCCCNC(=O)[C@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):