Geometry & MOs

Info

ID:

113270

PubChem CID:

50437607

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-185.31

Dipole, Da:

7.38

IP(EA), eV:

 -8.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(C)C)C

DOS

IR

Vibrations