Geometry & MOs

Info

ID:

90465

PubChem CID:

49969866

Reduced:

SO4N7C31H45 (1)

Stoich.:

AB4C7D31E45 (1)

Weight, g/mol:

611.328311

ΔHf, kcal/mol:

-159.14

Dipole, Da:

6.85

IP(EA), eV:

 -9.31(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations