Geometry & MOs

Info

ID:	166560
PubChem CID:	74710352
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	3.04
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-7-methyl-4-oxo-2,3,4a,5,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C3C(=NC(=C2C(=O)OC)C)NC(=NC3=O)SCC

DOS

IR

Vibrations