Geometry & MOs

Info

ID:	234562
PubChem CID:	92298699
Reduced:	ON2S3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	338.058127
ΔH_f, kcal/mol:	0.09
Dipole, Da:	1.47
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7aS)-6-cyclohexyl-5-sulfanylidene-3-thiophen-3-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)[C@H]3CS[C@@H](N3C2=S)C4=CSC=C4

DOS

IR

Vibrations