Geometry & MOs

Info

ID:

111521

PubChem CID:

50371222

Reduced:

FN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-233.28

Dipole, Da:

9.66

IP(EA), eV:

 -8.79(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC(=CC=C4)F)C(=O)N5CCOCC5

DOS

IR

Vibrations