Geometry & MOs

Info

ID:

106214

PubChem CID:

50153077

Reduced:

SO4N7C29H43 (1)

Stoich.:

AB4C7D29E43 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-160.02

Dipole, Da:

11.55

IP(EA), eV:

 -8.72(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-carbamoyl-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations