Geometry & MOs

Info

ID:

186936

PubChem CID:

77507083

Reduced:

FN4O5H19C20 (1)

Stoich.:

AB4C5D19E20 (1)

Weight, g/mol:

843.318384

ΔHf, kcal/mol:

-152.34

Dipole, Da:

8.14

IP(EA), eV:

 -9.66(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[2-chloro-5-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]methyl-cyclopropylcarbamoyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NC(=O)C1=C)CC2=CC(=C(C=C2)F)C(=O)N3CCN(C(=O)C3)CC(=O)O

DOS

IR

Vibrations