Geometry & MOs

Info

ID:	175725
PubChem CID:	75941851
Reduced:	NSO2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	424.205873
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	6.23
IP(EA), eV:	-8.37(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-5-oxo-N-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC(=O)N2CCCC2CC3=CC=CC=C3OC

DOS

IR

Vibrations