Geometry & MOs

Info

ID:

227533

PubChem CID:

87561939

Reduced:

N2Cl8O9C29H32 (1)

Stoich.:

A2B8C9D29E32 (1)

Weight, g/mol:

773.12722

ΔHf, kcal/mol:

-381.93

Dipole, Da:

2.87

IP(EA), eV:

 -8.35(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxypyridin-3-yl]-4-(trifluoromethyl)benzamide;hydrobromide

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)N(CC(=O)OCC)C(=O)N3CCOCC3)Cl)OC.C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

DOS

IR

Vibrations