Geometry & MOs

Info

ID:	44126
PubChem CID:	10500919
Reduced:	ClNSO4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	396.136159
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	8.36
IP(EA), eV:	-10.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations