Geometry & MOs

Info

ID:	400982
PubChem CID:	135049614
Reduced:	BrNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	354.04431
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	6.13
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,2-bis[(2-methoxy-2-oxoethyl)sulfanyl]butanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C=C)Br

DOS

IR

Vibrations