Geometry & MOs

Info

ID:	187608
PubChem CID:	77597085
Reduced:	NSO3C14H15 (2)
Stoich.:	ABC3D14E15 (2)
Weight, g/mol:	420.067734
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	3.01
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)methyl-(1,1-dioxothian-4-yl)amino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C(CNCCOC2=CC3=C(C=C2)C(=C(S3)C4=CC=CC=C4)CCC(=O)O)O

DOS

IR

Vibrations