Geometry & MOs

Info

ID:

120593

PubChem CID:

50736242

Reduced:

FN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

628.300933

ΔHf, kcal/mol:

-241.05

Dipole, Da:

5.3

IP(EA), eV:

 -9.09(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[3-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations