Geometry & MOs

Info

ID:

95074

PubChem CID:

50006134

Reduced:

F3O4N5C33H42 (1)

Stoich.:

A3B4C5D33E42 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-321.33

Dipole, Da:

7.95

IP(EA), eV:

 -8.89(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations