Geometry & MOs

Info

ID:	39776
PubChem CID:	8142239
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	390.167853
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	3.12
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diethoxyphenyl)methyl 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations