Geometry & MOs

Info

ID:

100096

PubChem CID:

50058157

Reduced:

FSO3N6C27H31 (1)

Stoich.:

ABC3D6E27F31 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-105.12

Dipole, Da:

9.68

IP(EA), eV:

 -8.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)phenyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-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)NC4=NN=C(S4)C

DOS

IR

Vibrations