Geometry & MOs

Info

ID:	122554
PubChem CID:	50812176
Reduced:	FO2S3N6H13C17 (1)
Stoich.:	AB2C3D6E13F17 (1)
Weight, g/mol:	382.030267
ΔH_f, kcal/mol:	55.24
Dipole, Da:	4.15
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)SCC3=NOC(=N3)CCC(=O)NC4=NN=CS4)F

DOS

IR

Vibrations