Geometry & MOs

Info

ID:	14132
PubChem CID:	405083
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	2.06
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-oxopropyl]-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C3C(=O)NC(=NC3=O)S

DOS

IR

Vibrations