Geometry & MOs

Info

ID:

120585

PubChem CID:

50735846

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-171.63

Dipole, Da:

8.22

IP(EA), eV:

 -8.65(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations