Geometry & MOs

Info

ID:

112046

PubChem CID:

50392982

Reduced:

N5O5C36H51 (1)

Stoich.:

A5B5C36D51 (1)

Weight, g/mol:

625.343961

ΔHf, kcal/mol:

-227.09

Dipole, Da:

5.3

IP(EA), eV:

 -8.8(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NCC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations