Geometry & MOs

Info

ID:	194486
PubChem CID:	78544055
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-213.05
Dipole, Da:	5.73
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylpropylamino)ethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)CC

DOS

IR

Vibrations