Geometry & MOs

Info

ID:

439502

PubChem CID:

135229276

Reduced:

N2H11C17 (2)

Stoich.:

A2B11C17 (2)

Weight, g/mol:

530.394623

ΔHf, kcal/mol:

210.75

Dipole, Da:

0.99

IP(EA), eV:

 -8.71(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-5,5,13,16,16,19,19-heptamethyl-13lambda4-thiahexacyclo[10.9.1.02,11.04,9.014,22.015,20]docosa-3,9,14,20-tetraene

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=C2C3=NC4=C(C=CC5=C4N=CC=C5)C=C3)C(=C1)C6=NC7C(C=CC8=C7N=CC=C8)C=C6

DOS

IR

Vibrations