Geometry & MOs

Info

ID:

110836

PubChem CID:

50341347

Reduced:

F2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-251.83

Dipole, Da:

4.37

IP(EA), eV:

 -8.79(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC=C4F)F)C(=O)NCC(C)C

DOS

IR

Vibrations