Geometry & MOs

Info

ID:	237746
PubChem CID:	92721259
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	7.1
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-propan-2-yl-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