Geometry & MOs

Info

ID:	65558
PubChem CID:	46386621
Reduced:	N3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	457.146013
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	4.09
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations