Geometry & MOs

Info

ID:	222721
PubChem CID:	85332132
Reduced:	NO2C9H9 (3)
Stoich.:	AB2C9D9 (3)
Weight, g/mol:	490.286529
ΔH_f, kcal/mol:	-193.6
Dipole, Da:	4.02
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]sulfonyl-12-hydroxyicosa-5,8,14-trienamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1C(=O)N2C(CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36)C(=O)N1

DOS

IR

Vibrations