Geometry & MOs

Info

ID:

113337

PubChem CID:

50440601

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

770.396725

ΔHf, kcal/mol:

-281.94

Dipole, Da:

5.28

IP(EA), eV:

 -8.84(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations