Geometry & MOs

Info

ID:

113322

PubChem CID:

50439954

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-270.67

Dipole, Da:

10.02

IP(EA), eV:

 -9.0(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F)C(=O)NC6CCCC6

DOS

IR

Vibrations