Geometry & MOs

Info

ID:

105343

PubChem CID:

50106966

Reduced:

SO4N7C24H33 (1)

Stoich.:

AB4C7D24E33 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-137.47

Dipole, Da:

7.16

IP(EA), eV:

 -8.99(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations