Geometry & MOs

Info

ID:

95389

PubChem CID:

50008937

Reduced:

FO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

611.21072

ΔHf, kcal/mol:

-189.84

Dipole, Da:

6.55

IP(EA), eV:

 -8.89(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations