Geometry & MOs

Info

ID:

95390

PubChem CID:

50008939

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

537.275133

ΔHf, kcal/mol:

-164.26

Dipole, Da:

8.4

IP(EA), eV:

 -8.74(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-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)C)C)Br

DOS

IR

Vibrations