Geometry & MOs

Info

ID:	65559
PubChem CID:	46386622
Reduced:	SN3O3H23C26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	459.134969
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	5.71
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)SC

DOS

IR

Vibrations