Geometry & MOs

Info

ID:

95259

PubChem CID:

50007575

Reduced:

FO3N4C24H29 (1)

Stoich.:

AB3C4D24E29 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-147.99

Dipole, Da:

4.29

IP(EA), eV:

 -8.99(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]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)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations