Geometry & MOs

Info

ID:

97274

PubChem CID:

50029534

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-269.04

Dipole, Da:

12.11

IP(EA), eV:

 -8.86(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations