Geometry & MOs

Info

ID:

99193

PubChem CID:

50048944

Reduced:

F3N5O5H36C37 (1)

Stoich.:

A3B5C5D36E37 (1)

Weight, g/mol:

776.326453

ΔHf, kcal/mol:

-265.83

Dipole, Da:

6.05

IP(EA), eV:

 -8.84(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations