Geometry & MOs

Info

ID:

186789

PubChem CID:

77483776

Reduced:

N3C16H18 (2)

Stoich.:

A3B16C18 (2)

Weight, g/mol:

700.373704

ΔHf, kcal/mol:

125.34

Dipole, Da:

2.86

IP(EA), eV:

 -8.14(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[5-[4-[5-[2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C1=NC=C(N1)C2=CC=C(C=C2)C3=CC=CC4=C3C=CC=C4C5=CNC(N5)C6CC7CC7N6)NC

DOS

IR

Vibrations