Geometry & MOs

Info

ID:

95353

PubChem CID:

50008610

Reduced:

SO4N7C25H35 (1)

Stoich.:

AB4C7D25E35 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-137.41

Dipole, Da:

11.3

IP(EA), eV:

 -8.86(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[4-(propan-2-ylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations