Geometry & MOs

Info

ID:	34915
PubChem CID:	7979083
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	395.96765
ΔH_f, kcal/mol:	-167.04
Dipole, Da:	1.67
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations