Geometry & MOs

Info

ID:	38300
PubChem CID:	8029656
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	353.097583
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	2.57
IP(EA), eV:	-8.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2,3-difluorophenyl)-2-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations