Geometry & MOs

Info

ID:	359746
PubChem CID:	127299693
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	399.128649
ΔH_f, kcal/mol:	-180.32
Dipole, Da:	4.26
IP(EA), eV:	-9.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-N-(1,1-dioxothiolan-3-yl)cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)C2CCCCC2C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations