Geometry & MOs

Info

ID:

110787

PubChem CID:

50340197

Reduced:

FO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-267.81

Dipole, Da:

8.64

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-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)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)NCC(C)C

DOS

IR

Vibrations