Geometry & MOs

Info

ID:	150176
PubChem CID:	53789863
Reduced:	O3S3N5H35C42 (1)
Stoich.:	A3B3C5D35E42 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	133.59
Dipole, Da:	2.83
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-N-(oxomethylidene)prop-1-ene-1-sulfonamide

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)SC(C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC8=NNN=C8

DOS

IR

Vibrations