Geometry & MOs

Info

ID:	157888
PubChem CID:	56458798
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	12.0
IP(EA), eV:	-8.13(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CNN4C3=NC(=O)C5=CC=CC=C54)C

DOS

IR

Vibrations