Geometry & MOs

Info

ID:	65515
PubChem CID:	46386577
Reduced:	SN3O3H23C26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	6.43
Dipole, Da:	4.71
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)SC

DOS

IR

Vibrations