Geometry & MOs

Info

ID:	177776
PubChem CID:	76229448
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	431.131506
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	10.73
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-fluorophenyl)prop-2-enoyl]-3-piperidin-1-ylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations