Geometry & MOs

Info

ID:

97525

PubChem CID:

50032282

Reduced:

SF2O3N6C27H30 (1)

Stoich.:

AB2C3D6E27F30 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-146.8

Dipole, Da:

9.54

IP(EA), eV:

 -8.97(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-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=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations