Geometry & MOs

Info

ID:

96441

PubChem CID:

50021039

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-192.94

Dipole, Da:

7.71

IP(EA), eV:

 -9.18(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations