Geometry & MOs

Info

ID:

219650

PubChem CID:

85164294

Reduced:

N2O2C16H17 (2)

Stoich.:

A2B2C16D17 (2)

Weight, g/mol:

547.214092

ΔHf, kcal/mol:

-96.92

Dipole, Da:

5.32

IP(EA), eV:

 -8.43(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4CC(CN4C(=O)C5CC6=CC=CC=C6N5)O

DOS

IR

Vibrations