Geometry & MOs

Info

ID:	79440
PubChem CID:	49748638
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	418.138485
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	4.24
IP(EA), eV:	-8.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C3=CC(=NN3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations