Geometry & MOs

Info

ID:

107328

PubChem CID:

50198985

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

746.36034

ΔHf, kcal/mol:

-324.5

Dipole, Da:

7.1

IP(EA), eV:

 -9.01(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methoxy-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations