Geometry & MOs

Info

ID:	234561
PubChem CID:	92298697
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	338.058127
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	8.01
IP(EA), eV:	-8.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,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

C[C@@H]1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C)CCOC

DOS

IR

Vibrations