Geometry & MOs

Info

ID:	142268
PubChem CID:	53007595
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	3.65
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-N-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NC4=C(S3)N=CC=C4)OC

DOS

IR

Vibrations