Geometry & MOs

Info

ID:	173462
PubChem CID:	75640681
Reduced:	SO2N3H22C30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	489.151098
ΔH_f, kcal/mol:	138.01
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778811
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxy-3,4-diphenylcyclopenta-1,4-dien-1-yl)amino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1NC4=CC(C(=C4)C5=CC=CC=C5)(C6=CC=CC=C6)[O-]

DOS

IR

Vibrations