Geometry & MOs

Info

ID:

113445

PubChem CID:

50445696

Reduced:

SO4N7C32H39 (1)

Stoich.:

AB4C7D32E39 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-93.8

Dipole, Da:

10.2

IP(EA), eV:

 -8.78(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=NN=C(S4)C(C)C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations