Geometry & MOs

Info

ID:	20341
PubChem CID:	583220
Reduced:	OSN2F3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	350.070069
ΔH_f, kcal/mol:	-128.08
Dipole, Da:	5.93
IP(EA), eV:	-9.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-sulfanyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

C1C(N(C(=NC1=O)S)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations