Geometry & MOs

Info

ID:

446494

PubChem CID:

135275446

Reduced:

SN3H73C110 (1)

Stoich.:

AB3C73D110 (1)

Weight, g/mol:

560.245727

ΔHf, kcal/mol:

458.5

Dipole, Da:

3.54

IP(EA), eV:

 -7.94(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-2-(dimethylamino)-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]propanamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=CC4=C3C=CC5=C4C(=CC=C5)N(C6=CC=C(C=C6)C7=CC8=C(C=C7)SC9=CC=CC=C98)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=C(C=C2)N(C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

DOS

IR

Vibrations