Geometry & MOs

Info

ID:	350503
PubChem CID:	127277865
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-131.02
Dipole, Da:	9.12
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations