Geometry & MOs

Info

ID:	128987
PubChem CID:	51065413
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	378.091725
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	10.07
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations