Geometry & MOs

Info

ID:	53446
PubChem CID:	14716040
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	2.04
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-methoxy-1-phenylpropan-2-yl)-N-methyl-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@H](CCN1)SC2=CC=CC=C2

DOS

IR

Vibrations