Geometry & MOs

Info

ID:

15160

PubChem CID:

431537

Reduced:

ClNSO5C27H28 (1)

Stoich.:

ABCD5E27F28 (1)

Weight, g/mol:

513.137672

ΔHf, kcal/mol:

-137.11

Dipole, Da:

8.91

IP(EA), eV:

 -8.52(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-chloro-8-methyl-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1,3,5,9,11,13(21),15(20),16,18-nonaen-14-one;hexyl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCOS(=O)(=O)O.CN1C2C=CC=CC2=C3C4=C(C=C(C=C4)Cl)C(=O)C5=C3C1=CC=C5

DOS

IR

Vibrations