Geometry & MOs

Info

ID:	72465
PubChem CID:	48416205
Reduced:	BrNO5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	1.25
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(6-chloropyridine-3-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(O2)Br)C(=O)OC

DOS

IR

Vibrations