Geometry & MOs

Info

ID:	13758
PubChem CID:	397937
Reduced:	O2S2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	453.154469
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	3.18
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-[2-(diethylamino)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations