Geometry & MOs

Info

ID:

224485

PubChem CID:

85343946

Reduced:

O4N5C17H20 (2)

Stoich.:

A4B5C17D20 (2)

Weight, g/mol:

716.394914

ΔHf, kcal/mol:

-120.15

Dipole, Da:

7.98

IP(EA), eV:

 -8.77(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-[[3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-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

CN(C)C=NC1=NC2=NC=C(N=C2C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])CNC4=CC=C(C=C4)C(=O)C(CCC(=O)NCCO)C(=O)NCCO

DOS

IR

Vibrations