Geometry & MOs

Info

ID:	301967
PubChem CID:	123105788
Reduced:	BrNSO4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	428.97041
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	5.9
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methylsulfinyl]-N-(4-methylphenyl)sulfonylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations