Geometry & MOs

Info

ID:	243325
PubChem CID:	99218330
Reduced:	SN3O5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	431.080347
ΔH_f, kcal/mol:	-149.03
Dipole, Da:	2.5
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-cyano-2-ethoxyphenyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN(CC(=O)OC)C(=O)[C@@H]2CCCN(C2)C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations