Geometry & MOs

Info

ID:	184646
PubChem CID:	77187977
Reduced:	BrO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	4.94
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethoxy-3-[4-[6-[methyl(phenylcarbamoyl)amino]pyridin-2-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC=C(C2=CC=CC=C2)C3=CC=C(C=C3)Br)OC(C)C(=O)O

DOS

IR

Vibrations