Geometry & MOs

Info

ID:	35360
PubChem CID:	7979753
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	362.103335
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	9.95
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations