Geometry & MOs

Info

ID:

426229

PubChem CID:

135142814

Reduced:

S2N3O4C35H41 (1)

Stoich.:

A2B3C4D35E41 (1)

Weight, g/mol:

632.319149

ΔHf, kcal/mol:

-84.33

Dipole, Da:

4.52

IP(EA), eV:

 -7.75(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-[5-(6a,6b,10a,10c-tetrahydrofluoranthen-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),5,8,12,17,19-heptaene

Drug info:

PubChemData

Smile

CCNC1=C(C(=C(C=C1)C(C2=CC(=C(S2)C)CN3CCOC4=CC=CC=C4S3=O)C(C)(C)C(=O)OCC5=CC=CC=C5)C)N

DOS

IR

Vibrations