Geometry & MOs

Info

ID:

162932

PubChem CID:

57580918

Reduced:

N5C32H39 (1)

Stoich.:

A5B32C39 (1)

Weight, g/mol:

540.078684

ΔHf, kcal/mol:

74.59

Dipole, Da:

3.57

IP(EA), eV:

 -7.68(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl) 4-methylsulfonylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=CC=C(C3=NC=CN23)NC4=CC=C(C=C4)N5CCN(CC5)C6CCCCC6

DOS

IR

Vibrations