Geometry & MOs

Info

ID:

90338

PubChem CID:

49968790

Reduced:

F2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

693.28897

ΔHf, kcal/mol:

-252.72

Dipole, Da:

10.52

IP(EA), eV:

 -8.88(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations