Geometry & MOs

Info

ID:	73163
PubChem CID:	48417130
Reduced:	SO3N6H12C18 (1)
Stoich.:	AB3C6D12E18 (1)
Weight, g/mol:	379.09504
ΔH_f, kcal/mol:	49.04
Dipole, Da:	12.53
IP(EA), eV:	-9.3(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations