Geometry & MOs

Info

ID:

96926

PubChem CID:

50025929

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-203.07

Dipole, Da:

1.78

IP(EA), eV:

 -8.94(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations