Geometry & MOs

Info

ID:

100656

PubChem CID:

50063446

Reduced:

F4O5N6C41H42 (1)

Stoich.:

A4B5C6D41E42 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-337.48

Dipole, Da:

18.27

IP(EA), eV:

 -9.0(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations