Geometry & MOs

Info

ID:

237765

PubChem CID:

92721406

Reduced:

N3O3C26H31 (1)

Stoich.:

A3B3C26D31 (1)

Weight, g/mol:

449.231456

ΔHf, kcal/mol:

-73.0

Dipole, Da:

4.31

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-10-[(2-methoxyphenyl)methyl]-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

CC1=CC(=CC(=C1)N2C(=O)C3=CC4=C(N3C[C@]2(C)C(=O)NC5CCCCCC5)C=CO4)C

DOS

IR

Vibrations