Geometry & MOs

Info

ID:	128989
PubChem CID:	51065441
Reduced:	ClSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	0.86
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2-ethylsulfanylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=N1)C(=O)NCCC(=O)NC2=CC=CC(=C2)C)Cl

DOS

IR

Vibrations