Geometry & MOs

Info

ID:	213895
PubChem CID:	81065526
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	300.12407
ΔH_f, kcal/mol:	-205.8
Dipole, Da:	4.96
IP(EA), eV:	-9.18(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1CSC2(N1C(=O)CC2)C

DOS

IR

Vibrations