Geometry & MOs

Info

ID:	175011
PubChem CID:	75845468
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	477.160994
ΔH_f, kcal/mol:	-70.14
Dipole, Da:	4.65
IP(EA), eV:	-8.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzamidophenyl)sulfanylethyl 3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SCCOC(=O)C=CC3=CC=CO3

DOS

IR

Vibrations