Geometry & MOs

Info

ID:	272933
PubChem CID:	103768007
Reduced:	ClSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	31.59
Dipole, Da:	2.61
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NCC2=CSC(=N2)C

DOS

IR

Vibrations