Geometry & MOs

Info

ID:

111168

PubChem CID:

50355104

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-222.02

Dipole, Da:

8.3

IP(EA), eV:

 -8.84(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCCC(C5)C)Cl)C

DOS

IR

Vibrations