Geometry & MOs

Info

ID:	138873
PubChem CID:	52437708
Reduced:	OS2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	7.0
IP(EA), eV:	-7.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)NC(=N[C@@H]2SCC(=O)NC3=CC=C(C=C3)N(CC)CC)CC

DOS

IR

Vibrations