Geometry & MOs

Info

ID:

112198

PubChem CID:

50398194

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-220.87

Dipole, Da:

8.5

IP(EA), eV:

 -9.02(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(3,4-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C(=O)NC6CCCCC6

DOS

IR

Vibrations