Geometry & MOs

Info

ID:	128991
PubChem CID:	51065443
Reduced:	ClSO3N4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	468.138675
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	3.37
IP(EA), eV:	-8.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(2,3-dimethylanilino)-3-oxopropyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCNC(=O)C2=NC(=NC=C2Cl)SCC

DOS

IR

Vibrations