Geometry & MOs

Info

ID:	208444
PubChem CID:	80530979
Reduced:	BrClSO3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	394.85687
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	5.68
IP(EA), eV:	-9.85(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-methylphenyl)methanamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1Cl)Br)C(=O)CCC(=O)O

DOS

IR

Vibrations