Geometry & MOs

Info

ID:

111445

PubChem CID:

50367903

Reduced:

FO5N6C44H57 (1)

Stoich.:

AB5C6D44E57 (1)

Weight, g/mol:

772.412375

ΔHf, kcal/mol:

-265.99

Dipole, Da:

10.1

IP(EA), eV:

 -8.74(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)C

DOS

IR

Vibrations