Geometry & MOs

Info

ID:	413628
PubChem CID:	135086577
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	594.041913
ΔH_f, kcal/mol:	78.16
Dipole, Da:	8.19
IP(EA), eV:	-9.73(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-(benzenesulfonyl)-7-phenylindol-3-yl]methoxycarbonylamino] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CCCCCCC#CC#CC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations