Geometry & MOs

Info

ID:

225706

PubChem CID:

87225379

Reduced:

O4N7C28H31 (1)

Stoich.:

A4B7C28D31 (1)

Weight, g/mol:

723.04363

ΔHf, kcal/mol:

-80.5

Dipole, Da:

7.07

IP(EA), eV:

 -8.36(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,5-dibromo-4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)N(C)C

DOS

IR

Vibrations