Geometry & MOs

Info

ID:	16363
PubChem CID:	465533
Reduced:	BrNSCl2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	358.89379
ΔH_f, kcal/mol:	56.62
Dipole, Da:	4.76
IP(EA), eV:	-9.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(3,4-dichlorophenyl)benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=NC2=CC(=C(C=C2)Cl)Cl)S

DOS

IR

Vibrations