Geometry & MOs

Info

ID:	169958
PubChem CID:	75175187
Reduced:	SN3O5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	-185.69
Dipole, Da:	3.78
IP(EA), eV:	-8.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-2-[[ethyl-(2-hydroxy-3-phenylpropyl)amino]methyl]-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(COC(C)C)O

DOS

IR

Vibrations