Geometry & MOs

Info

ID:

100318

PubChem CID:

50060050

Reduced:

BrFO4N5C37H43 (1)

Stoich.:

ABC4D5E37F43 (1)

Weight, g/mol:

746.359197

ΔHf, kcal/mol:

-188.58

Dipole, Da:

13.87

IP(EA), eV:

 -8.52(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5C)Br)C

DOS

IR

Vibrations