Geometry & MOs

Info

ID:	61857
PubChem CID:	26714355
Reduced:	FO2Cl3N4H14C20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	445.92582
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	2.19
IP(EA), eV:	-9.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(3-bromophenyl)methylsulfanyl]acetyl]-2,4-dichlorobenzohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations