Geometry & MOs

Info

ID:

186359

PubChem CID:

77424607

Reduced:

Cl2O4N7C26H27 (1)

Stoich.:

A2B4C7D26E27 (1)

Weight, g/mol:

503.187878

ΔHf, kcal/mol:

-76.96

Dipole, Da:

10.49

IP(EA), eV:

 -8.96(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-[4-(2-methylpyrrolidin-1-yl)sulfinylphenyl]pyridin-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=NCC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=NN5C=CC=CC5=C4)Cl)N

DOS

IR

Vibrations