Geometry & MOs

Info

ID:	13742
PubChem CID:	397469
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	2.94
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CSC3=CC=CC=C3

DOS

IR

Vibrations