Geometry & MOs

Info

ID:

112720

PubChem CID:

50417235

Reduced:

O4F5N5H30C31 (1)

Stoich.:

A4B5C5D30E31 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-343.66

Dipole, Da:

8.47

IP(EA), eV:

 -9.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=C(C=C3)F)F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations