Geometry & MOs

Info

ID:

114347

PubChem CID:

50480016

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-264.69

Dipole, Da:

3.53

IP(EA), eV:

 -9.1(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methoxy-4-(propanoylamino)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations