Geometry & MOs

Info

ID:

98008

PubChem CID:

50037938

Reduced:

FN5O6C34H40 (1)

Stoich.:

AB5C6D34E40 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-250.96

Dipole, Da:

9.89

IP(EA), eV:

 -8.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations