Geometry & MOs

Info

ID:

322227

PubChem CID:

126669280

Reduced:

N2O3C50H58 (1)

Stoich.:

A2B3C50D58 (1)

Weight, g/mol:

461.17039

ΔHf, kcal/mol:

-39.89

Dipole, Da:

5.09

IP(EA), eV:

 -8.77(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-(6-chloropyridin-3-yl)ethyl]-5-fluoro-2,3-dimethyl-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]indole-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)C5CC(CCN5)C(C6=CC=CC=C6)(C7=CC=CC=C7)O)O

DOS

IR

Vibrations