Geometry & MOs

Info

ID:

90766

PubChem CID:

49971908

Reduced:

O5N6C42H54 (1)

Stoich.:

A5B6C42D54 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-194.3

Dipole, Da:

5.96

IP(EA), eV:

 -8.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations