Geometry & MOs

Info

ID:

113815

PubChem CID:

50459375

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

631.315855

ΔHf, kcal/mol:

-176.2

Dipole, Da:

3.05

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCCC5)C

DOS

IR

Vibrations