Geometry & MOs

Info

ID:	61858
PubChem CID:	26714356
Reduced:	BrSCl2N2O2H13C16 (1)
Stoich.:	ABC2D2E2F13G16 (1)
Weight, g/mol:	385.989483
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	2.85
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CSCC(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations