Geometry & MOs

Info

ID:

433704

PubChem CID:

135173844

Reduced:

ClSO2C11H15 (1)

Stoich.:

ABC2D11E15 (1)

Weight, g/mol:

768.314064

ΔHf, kcal/mol:

-75.0

Dipole, Da:

4.2

IP(EA), eV:

-8.58(-0.67)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[4-[5-ethenyl-6-[(Z)-prop-1-enyl]-4-oxa-11-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),5,8,12,14,16,18-nonaen-11-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SOCCOCCCl

DOS

IR

Vibrations