Geometry & MOs

Info

ID:

179011

PubChem CID:

76419950

Reduced:

BrNa2P2N4C10H11O11 (1)

Stoich.:

AB2C2D4E10F11G11 (1)

Weight, g/mol:

629.286527

ΔHf, kcal/mol:

-588.45

Dipole, Da:

34.4

IP(EA), eV:

 -9.84(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

C1=NC(=O)C2C(=N1)N(C(=N2)Br)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations