Geometry & MOs

Info

ID:

96837

PubChem CID:

50024835

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

704.426134

ΔHf, kcal/mol:

-234.66

Dipole, Da:

8.02

IP(EA), eV:

 -8.77(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC(=C4)C)F

DOS

IR

Vibrations