Geometry & MOs

Info

ID:

237760

PubChem CID:

92721382

Reduced:

N3O5C26H29 (1)

Stoich.:

A3B5C26D29 (1)

Weight, g/mol:

453.181919

ΔHf, kcal/mol:

-118.93

Dipole, Da:

5.47

IP(EA), eV:

 -8.72(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-10-(3-chloro-2-methylphenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=C(C=C2C(=O)N1CC4=CC5=C(C=C4)OCO5)OC=C3)C(=O)NC6CCCCCC6

DOS

IR

Vibrations