Geometry & MOs

Info

ID:	128988
PubChem CID:	51065440
Reduced:	ClSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	378.091725
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	3.13
IP(EA), eV:	-8.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-ethylsulfanyl-N-[3-(3-methylanilino)-3-oxopropyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations