Geometry & MOs

Info

ID:	234403
PubChem CID:	92298350
Reduced:	Cl2O2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	394.048712
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	2.42
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC#N)CC#N)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations