Geometry & MOs

Info

ID:	33066
PubChem CID:	7850616
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	3.45
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)N2CCNC2=O

DOS

IR

Vibrations