Geometry & MOs

Info

ID:	213411
PubChem CID:	81063624
Reduced:	NSO5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-237.18
Dipole, Da:	4.94
IP(EA), eV:	-10.35(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCS(=O)(=O)C1

DOS

IR

Vibrations