Geometry & MOs

Info

ID:	156657
PubChem CID:	56371560
Reduced:	BrN2S2O3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	483.07151
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	1.81
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations