Geometry & MOs

Info

ID:	213314
PubChem CID:	81063427
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	4.43
IP(EA), eV:	-9.42(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations