Geometry & MOs

Info

ID:	73058
PubChem CID:	48416908
Reduced:	SO3N5H13C17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	401.127009
ΔH_f, kcal/mol:	12.19
Dipole, Da:	8.21
IP(EA), eV:	-9.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations