Geometry & MOs

Info

ID:	155715
PubChem CID:	56367113
Reduced:	ClOSF2N3C18H20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	426.036496
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	7.42
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)C3CC3

DOS

IR

Vibrations