Geometry & MOs

Info

ID:	35473
PubChem CID:	7979921
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	364.046214
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	1.37
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCSC3=CC=C(C=C3)F

DOS

IR

Vibrations