Geometry & MOs

Info

ID:

312084

PubChem CID:

126602686

Reduced:

SN4O5C28H28 (1)

Stoich.:

AB4C5D28E28 (1)

Weight, g/mol:

582.173705

ΔHf, kcal/mol:

-104.99

Dipole, Da:

7.06

IP(EA), eV:

 -8.88(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3O2)N(C)S(=O)(=O)C)C4=CC5=C(C=C4)N=CN5CCO)C(=O)NC

DOS

IR

Vibrations