Geometry & MOs

Info

ID:	122549
PubChem CID:	50811883
Reduced:	FSO2N6H21C22 (1)
Stoich.:	ABC2D6E21F22 (1)
Weight, g/mol:	470.081554
ΔH_f, kcal/mol:	15.84
Dipole, Da:	5.6
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CCC2=NC(=NO2)CSC3=NNC(=N3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations