Geometry & MOs

Info

ID:	35328
PubChem CID:	7979707
Reduced:	ClSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-166.67
Dipole, Da:	8.38
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-nitrophenoxy)-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)O

DOS

IR

Vibrations