Geometry & MOs

Info

ID:	133460
PubChem CID:	51530839
Reduced:	N3O4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769143
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-[2-[2-(phenylcarbamoyl)phenoxy]acetyl]anilino)acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

DOS

IR

Vibrations