Geometry & MOs

Info

ID:	199965
PubChem CID:	79324761
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	2.25
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-cyclopentylethylcarbamoyl)pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC1C2=CSC(=N2)NC(=O)CN3C=CC=C3C(=O)O

DOS

IR

Vibrations