Geometry & MOs

Info

ID:

112765

PubChem CID:

50418709

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-265.8

Dipole, Da:

8.66

IP(EA), eV:

 -8.75(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations