Geometry & MOs

Info

ID:

97398

PubChem CID:

50031186

Reduced:

N2O2C13H14 (3)

Stoich.:

A2B2C13D14 (3)

Weight, g/mol:

752.313389

ΔHf, kcal/mol:

-167.41

Dipole, Da:

8.85

IP(EA), eV:

 -8.4(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methoxyphenyl)-1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations