Geometry & MOs

Info

ID:	69010
PubChem CID:	46515449
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	478.156243
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	6.19
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)OCC(CN2CCC(CC2)C(=O)NC3=CC=CC=C3)O

DOS

IR

Vibrations