Geometry & MOs

Info

ID:	193928
PubChem CID:	78457084
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	4.49
IP(EA), eV:	-8.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-fluorophenyl)methyl]-1,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2SC)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations