Geometry & MOs

Info

ID:	158560
PubChem CID:	56464177
Reduced:	BrN2S2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	418.123229
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	8.16
IP(EA), eV:	-9.58(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations