Geometry & MOs

Info

ID:	122551
PubChem CID:	50811942
Reduced:	ClFSO3N4H18C22 (1)
Stoich.:	ABCD3E4F18G22 (1)
Weight, g/mol:	472.077218
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	5.66
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations