Geometry & MOs

Info

ID:	34978
PubChem CID:	7979158
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	376.02227
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	1.79
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations