Geometry & MOs

Info

ID:	169967
PubChem CID:	75175578
Reduced:	SN3O4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	515.164555
ΔH_f, kcal/mol:	-118.86
Dipole, Da:	4.18
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]-prop-2-enylamino]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(COCC=C)O

DOS

IR

Vibrations