Geometry & MOs

Info

ID:

92807

PubChem CID:

49989672

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-285.57

Dipole, Da:

9.81

IP(EA), eV:

 -8.74(-0.28)

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-[4-[(2,6-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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F

DOS

IR

Vibrations