Geometry & MOs

Info

ID:	64300
PubChem CID:	29198978
Reduced:	BrSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	453.99107
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	4.27
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations