Geometry & MOs

Info

ID:	73238
PubChem CID:	48417253
Reduced:	ClO3N4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-21.72
Dipole, Da:	2.85
IP(EA), eV:	-9.29(-1.39)
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-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations