Geometry & MOs

Info

ID:	166559
PubChem CID:	74709613
Reduced:	NO2C28H42 (1)
Stoich.:	AB2C28D42 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754800
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-ethoxyphenyl)-2-ethylsulfanyl-7-methyl-4-oxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

DOS

IR

Vibrations