Geometry & MOs

Info

ID:

104096

PubChem CID:

50091666

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

688.337319

ΔHf, kcal/mol:

-141.37

Dipole, Da:

5.1

IP(EA), eV:

 -8.58(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamidoanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations