Geometry & MOs

Info

ID:

108218

PubChem CID:

50235868

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-169.85

Dipole, Da:

6.75

IP(EA), eV:

 -8.72(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations