Geometry & MOs

Info

ID:	73269
PubChem CID:	48417327
Reduced:	BrSO3N5H12C13 (1)
Stoich.:	ABC3D5E12F13 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	2.4
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)NCCC(=O)N2C(=C(C=N2)C#N)N)Br

DOS

IR

Vibrations