Geometry & MOs

Info

ID:	169960
PubChem CID:	75175257
Reduced:	SN3O3C26H33 (1)
Stoich.:	AB3C3D26E33 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	3.31
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations