Geometry & MOs

Info

ID:	169959
PubChem CID:	75175188
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	467.224263
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	1.34
IP(EA), eV:	-8.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-3-phenylpropyl)-propylamino]methyl]-5-(4-methoxyphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC1NC2C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)N1)CC(CC4=CC=CC=C4)O

DOS

IR

Vibrations