Geometry & MOs

Info

ID:

237768

PubChem CID:

92721409

Reduced:

N3O4C26H31 (1)

Stoich.:

A3B4C26D31 (1)

Weight, g/mol:

437.21147

ΔHf, kcal/mol:

-99.81

Dipole, Da:

2.13

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-10-[(4-fluorophenyl)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

C[C@]1(CN2C3=C(C=C2C(=O)N1CC4=CC(=CC=C4)OC)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations