Geometry & MOs

Info

ID:

100317

PubChem CID:

50060004

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

719.24825

ΔHf, kcal/mol:

-220.79

Dipole, Da:

10.97

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations