Geometry & MOs

Info

ID:	29027
PubChem CID:	831205
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	7.92
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NN=CC2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations