Geometry & MOs

Info

ID:	448285
PubChem CID:	135289914
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	440.090289
ΔH_f, kcal/mol:	72.47
Dipole, Da:	2.42
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methylsulfonyl-6-[(2-methyl-1,2,4-triazole-3-carbonyl)amino]pyrrolo[2,3-b]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC3=C(N2)N=C(C=C3)NC(=O)C4=CC=NN4C

DOS

IR

Vibrations