Geometry & MOs

Info

ID:

106576

PubChem CID:

50169542

Reduced:

SO4N7C32H45 (1)

Stoich.:

AB4C7D32E45 (1)

Weight, g/mol:

601.362805

ΔHf, kcal/mol:

-139.27

Dipole, Da:

7.02

IP(EA), eV:

 -8.8(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C(C)C

DOS

IR

Vibrations