Geometry & MOs

Info

ID:	414040
PubChem CID:	135086993
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	7.33
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(3-methylphenyl)-2-methylsulfanylethenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=O)CC#CCOCC2=CC=CC=C2

DOS

IR

Vibrations