Geometry & MOs

Info

ID:	169966
PubChem CID:	75175577
Reduced:	SN3O3C23H33 (1)
Stoich.:	AB3C3D23E33 (1)
Weight, g/mol:	447.219178
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	4.22
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-3-prop-2-enoxypropyl)-propylamino]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=CC=C3OC)C(=O)N1)CC(CCC=C)O

DOS

IR

Vibrations