Geometry & MOs

Info

ID:	147824
PubChem CID:	53787482
Reduced:	S3N5O9H21C27 (1)
Stoich.:	A3B5C9D21E27 (1)
Weight, g/mol:	335.9932
ΔH_f, kcal/mol:	-177.51
Dipole, Da:	9.28
IP(EA), eV:	-8.79(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-5-methylsulfanylphenyl)benzohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C5=C(C=CC(=C5)S(=O)(=O)O)C=C4)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations