Geometry & MOs

Info

ID:

110105

PubChem CID:

50309747

Reduced:

N3O3C14H18 (2)

Stoich.:

A3B3C14D18 (2)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-236.09

Dipole, Da:

7.63

IP(EA), eV:

 -8.16(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C)OC)C(=O)N

DOS

IR

Vibrations