Geometry & MOs

Info

ID:	199969
PubChem CID:	79325246
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	252.031711
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	3.88
IP(EA), eV:	-9.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3,4-thiadiazol-2-ylcarbamoyl)pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CN2C=CC=C2C(=O)O

DOS

IR

Vibrations