Geometry & MOs

Info

ID:	194002
PubChem CID:	78468071
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	385.15636
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	4.89
IP(EA), eV:	-7.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(2-fluorophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations