Geometry & MOs

Info

ID:

111628

PubChem CID:

50375817

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-193.29

Dipole, Da:

3.74

IP(EA), eV:

 -8.49(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations