Geometry & MOs

Info

ID:

96784

PubChem CID:

50024491

Reduced:

N3O3C19H28 (2)

Stoich.:

A3B3C19D28 (2)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-272.54

Dipole, Da:

8.51

IP(EA), eV:

 -8.38(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)OC

DOS

IR

Vibrations