Geometry & MOs

Info

ID:	172712
PubChem CID:	75542671
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	9.12
IP(EA), eV:	-9.07(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-5-(2-ethoxy-3-methoxyphenyl)-1,2,3,4a,5,6,8,8a-octahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=C3C(=NNC3=NC(=O)C2)C

DOS

IR

Vibrations