Geometry & MOs

Info

ID:

92372

PubChem CID:

49985403

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-238.43

Dipole, Da:

4.44

IP(EA), eV:

 -8.47(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations