Geometry & MOs

Info

ID:	133538
PubChem CID:	51543901
Reduced:	S2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	1.57
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@H](C)SC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4

DOS

IR

Vibrations