Geometry & MOs

Info

ID:

92795

PubChem CID:

49989603

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-239.89

Dipole, Da:

9.48

IP(EA), eV:

 -8.68(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(2,4-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=C(C=C6)F)C

DOS

IR

Vibrations