Geometry & MOs

Info

ID:	122550
PubChem CID:	50811941
Reduced:	ClSN4O4H19C22 (1)
Stoich.:	ABC4D4E19F22 (1)
Weight, g/mol:	472.077218
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	5.7
IP(EA), eV:	-8.26(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations