Geometry & MOs

Info

ID:

114346

PubChem CID:

50479905

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-196.05

Dipole, Da:

7.04

IP(EA), eV:

 -8.62(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations