Geometry & MOs

Info

ID:

237791

PubChem CID:

92721533

Reduced:

SN3O3C24H29 (1)

Stoich.:

AB3C3D24E29 (1)

Weight, g/mol:

439.192963

ΔHf, kcal/mol:

-64.15

Dipole, Da:

6.07

IP(EA), eV:

 -8.63(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C3N2C[C@@](N(C3=O)CC4=CC=CS4)(C)C(=O)NC5CCCCCC5

DOS

IR

Vibrations