Geometry & MOs

Info

ID:	419240
PubChem CID:	135107815
Reduced:	ClNS2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	5.62
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-2-[(1-methylpyrrole-2-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)C4=C1SC=C4

DOS

IR

Vibrations