Geometry & MOs

Info

ID:	33029
PubChem CID:	7850386
Reduced:	N2O3C9H11 (2)
Stoich.:	A2B3C9D11 (2)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-158.88
Dipole, Da:	8.22
IP(EA), eV:	-9.24(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations