Geometry & MOs

Info

ID:	175162
PubChem CID:	75862571
Reduced:	O3S3N4C19H29 (1)
Stoich.:	A3B3C4D19E29 (1)
Weight, g/mol:	378.185138
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037597
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C(CNC(=O)NCC2=CC=C(S2)S(=O)(=O)NC)C3=CC=CS3

DOS

IR

Vibrations