Geometry & MOs

Info

ID:	64169
PubChem CID:	29197328
Reduced:	BrClO2N4C18H20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	412.028912
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	4.73
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,4-difluorophenyl)sulfanylacetyl]-3,5-dinitrobenzohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NNC(=O)C2=CC=C(C=C2)Br)Cl)CC(C)C

DOS

IR

Vibrations