Geometry & MOs

Info

ID:	173181
PubChem CID:	75607781
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	428.130754
ΔH_f, kcal/mol:	-40.04
Dipole, Da:	6.09
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-2,4,7-trioxo-N-[2-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-4aH-pyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC3C(=NC2=O)CC(CC3=O)C4=CC=CS4

DOS

IR

Vibrations