Geometry & MOs

Info

ID:	123135
PubChem CID:	50834849
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	351.12169
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	2.6
IP(EA), eV:	-9.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-difluorophenyl)methylsulfanyl]-6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C)NC(=O)CCC4=CC(=CC=C4)OC

DOS

IR

Vibrations