Geometry & MOs

Info

ID:	169964
PubChem CID:	75175575
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	487.250478
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	3.45
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CSC3C2C(=O)NC(N3)CN(CC(COC4=CC=CC=C4)O)C5CC5

DOS

IR

Vibrations