Geometry & MOs

Info

ID:	35395
PubChem CID:	7979802
Reduced:	ClN2O5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	378.104956
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	7.58
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-3,5-dimethoxybenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations