Geometry & MOs

Info

ID:

237747

PubChem CID:

92721260

Reduced:

SO2N3C21H29 (1)

Stoich.:

AB2C3D21E29 (1)

Weight, g/mol:

444.255898

ΔHf, kcal/mol:

-74.01

Dipole, Da:

2.95

IP(EA), eV:

 -8.47(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-10-[2-(diethylamino)ethyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@]2(CN3C4=C(C=C3C(=O)N2C(C)C)SC=C4)C

DOS

IR

Vibrations