Geometry & MOs

Info

ID:

435508

PubChem CID:

135191665

Reduced:

SC19H22 (1)

Stoich.:

AB19C22 (1)

Weight, g/mol:

792.407964

ΔHf, kcal/mol:

26.91

Dipole, Da:

3.17

IP(EA), eV:

-7.97(-0.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,22S)-7,18,20,22-tetramethyl-4-[4-[4-(2-methyl-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,9-pentaen-8-yl]phenyl]-12-phenyl-15-oxa-12-azahexacyclo[14.6.1.02,14.05,13.06,11.021,23]tricosa-2(14),3,5(13),9,16(23),17,19-heptaene

Drug info:

PubChemData

Smile

CCCCC1=CC=C2C(=CC1C)C3=C(S2)C=CC(=C3)C

DOS

IR

Vibrations