Geometry & MOs

Info

ID:

107651

PubChem CID:

50212776

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-178.89

Dipole, Da:

7.83

IP(EA), eV:

 -8.76(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-methyl-3-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4F)C)C

DOS

IR

Vibrations