Geometry & MOs

Info

ID:

104140

PubChem CID:

50092186

Reduced:

NOC7H8 (6)

Stoich.:

ABC7D8 (6)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-196.49

Dipole, Da:

7.79

IP(EA), eV:

 -8.38(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C)OC

DOS

IR

Vibrations