Geometry & MOs

Info

ID:	62209
PubChem CID:	26718235
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	3.7
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-chlorophenyl)-5-oxo-N'-(2-pyrrol-1-ylbenzoyl)pyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)C)C(=O)OC

DOS

IR

Vibrations