Geometry & MOs

Info

ID:	192332
PubChem CID:	78257059
Reduced:	ClSO3N5H24C26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	488.176979
ΔH_f, kcal/mol:	4.9
Dipole, Da:	8.17
IP(EA), eV:	-8.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=CC(=O)N5CCCC5)N4)Cl

DOS

IR

Vibrations