Geometry & MOs

Info

ID:	198309
PubChem CID:	79084521
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	312.089226
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	5.07
IP(EA), eV:	-9.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C(C)C2=CC=C(O2)C(=O)O

DOS

IR

Vibrations