Geometry & MOs

Info

ID:

379465

PubChem CID:

134434099

Reduced:

N2H30C53 (1)

Stoich.:

A2B30C53 (1)

Weight, g/mol:

640.130047

ΔHf, kcal/mol:

268.62

Dipole, Da:

3.1

IP(EA), eV:

 -7.88(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9b-(benzenesulfonyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-(1-imino-1-oxothian-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N7C8=C(C9=CC=CC=C97)C1=CC2=C(C=C1C=C8)N1C3=CC=CC=C3C3=C1C2=CC=C3

DOS

IR

Vibrations