Geometry & MOs

Info

ID:	37997
PubChem CID:	8026292
Reduced:	N3O7H13C18 (1)
Stoich.:	A3B7C13D18 (1)
Weight, g/mol:	406.061257
ΔH_f, kcal/mol:	-146.77
Dipole, Da:	6.65
IP(EA), eV:	-9.75(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations