Geometry & MOs

Info

ID:	426460
PubChem CID:	135144297
Reduced:	SO3N4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	414.144038
ΔH_f, kcal/mol:	57.3
Dipole, Da:	7.5
IP(EA), eV:	-9.58(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1-ethylbenzimidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)/C(=C/C#N)/C(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)C#N

DOS

IR

Vibrations