Geometry & MOs

Info

ID:

90802

PubChem CID:

49972084

Reduced:

SO4N7C31H45 (1)

Stoich.:

AB4C7D31E45 (1)

Weight, g/mol:

748.407897

ΔHf, kcal/mol:

-155.05

Dipole, Da:

12.92

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-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)NC4=NN=C(S4)C

DOS

IR

Vibrations