Geometry & MOs

Info

ID:	13744
PubChem CID:	397471
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	4.6
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(=CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations