Geometry & MOs

Info

ID:

103619

PubChem CID:

50071966

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-220.1

Dipole, Da:

15.43

IP(EA), eV:

 -8.38(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC

DOS

IR

Vibrations