Geometry & MOs

Info

ID:

110095

PubChem CID:

50309527

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-168.48

Dipole, Da:

4.85

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N)C

DOS

IR

Vibrations