Geometry & MOs

Info

ID:

105829

PubChem CID:

50139692

Reduced:

ClF3O4N5C35H45 (1)

Stoich.:

AB3C4D5E35F45 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-336.92

Dipole, Da:

3.84

IP(EA), eV:

 -8.89(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

DOS

IR

Vibrations