Geometry & MOs

Info

ID:	128990
PubChem CID:	51065442
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	408.102289
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	5.02
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(4-ethoxyanilino)-3-oxopropyl]-2-ethylsulfanylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=N1)C(=O)NCCC(=O)NC2=C(C=CC=C2C)C)Cl

DOS

IR

Vibrations