Geometry & MOs

Info

ID:	178050
PubChem CID:	76269560
Reduced:	BrNSO6C18H20 (1)
Stoich.:	ABCD6E18F20 (1)
Weight, g/mol:	417.047143
ΔH_f, kcal/mol:	-201.92
Dipole, Da:	8.34
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OCCOC1=CC(=CC=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations