Geometry & MOs

Info

ID:

93188

PubChem CID:

49992360

Reduced:

SO4N7C29H41 (1)

Stoich.:

AB4C7D29E41 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-149.31

Dipole, Da:

11.03

IP(EA), eV:

 -8.75(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations