Geometry & MOs

Info

ID:	43912
PubChem CID:	10321973
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	7.87
IP(EA), eV:	-7.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-azidophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=COC(=C1)[C@@H](C(C)C)NC2=C(NS(=O)N2)/N=C/3\C=CC=C(C3=O)C(=O)N(C)C

DOS

IR

Vibrations