Geometry & MOs

Info

ID:	187808
PubChem CID:	77627596
Reduced:	NO5C34H45 (1)
Stoich.:	AB5C34D45 (1)
Weight, g/mol:	520.260708
ΔH_f, kcal/mol:	-173.15
Dipole, Da:	2.01
IP(EA), eV:	-8.61(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]phenyl]ethenesulfonamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(COC1=CC=C(C=C1)C2C(C(OC3=CC=CC=C23)(OC)OC)C4=CC=CC=C4)O

DOS

IR

Vibrations