Geometry & MOs

Info

ID:

112326

PubChem CID:

50402431

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

776.326453

ΔHf, kcal/mol:

-213.37

Dipole, Da:

13.26

IP(EA), eV:

 -8.51(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations