Geometry & MOs

Info

ID:

111309

PubChem CID:

50362209

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-135.81

Dipole, Da:

5.22

IP(EA), eV:

 -8.86(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NCC(C)C

DOS

IR

Vibrations