Geometry & MOs

Info

ID:	360497
PubChem CID:	127301142
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	6.37
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-3-(1-propanoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CSCN2C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations