Geometry & MOs

Info

ID:

98155

PubChem CID:

50040379

Reduced:

ClF2N5O5C35H38 (1)

Stoich.:

AB2C5D5E35F38 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-244.32

Dipole, Da:

6.12

IP(EA), eV:

 -8.78(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations