Geometry & MOs

Info

ID:	360374
PubChem CID:	127301019
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	369.154938
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	1.23
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations