Geometry & MOs

Info

ID:	208753
PubChem CID:	80578010
Reduced:	BrClNS2O3C9H11 (1)
Stoich.:	ABCD2E3F9G11 (1)
Weight, g/mol:	388.91579
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	3.94
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CN(CCC1O)S(=O)(=O)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations