Geometry & MOs

Info

ID:

90813

PubChem CID:

49972135

Reduced:

FO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-228.56

Dipole, Da:

7.78

IP(EA), eV:

 -8.86(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations