Geometry & MOs

Info

ID:

186159

PubChem CID:

77397040

Reduced:

N2O2C13H14 (1)

Stoich.:

A2B2C13D14 (1)

Weight, g/mol:

842.390417

ΔHf, kcal/mol:

12.87

Dipole, Da:

4.92

IP(EA), eV:

 -9.23(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-[4-[4-[2-[1-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=NC(C(=O)N=C21)CCC=C

DOS

IR

Vibrations