Geometry & MOs

Info

ID:

220168

PubChem CID:

85165319

Reduced:

N2O9C38H38 (1)

Stoich.:

A2B9C38D38 (1)

Weight, g/mol:

664.343627

ΔHf, kcal/mol:

-263.22

Dipole, Da:

3.7

IP(EA), eV:

 -8.68(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-[[3-(3,4-difluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1C(C(OC1N2CCC(=O)N(C2=O)C(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

DOS

IR

Vibrations