Geometry & MOs

Info

ID:	169961
PubChem CID:	75175572
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	517.180205
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	4.06
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylamino]methyl]-5-(2-methoxyphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCC(CN(CC1NC2C(C(=CS2)C3=CC=CC=C3OC)C(=O)N1)CC4=CC=CC=C4)O

DOS

IR

Vibrations