Geometry & MOs

Info

ID:

92739

PubChem CID:

49989362

Reduced:

SO4N7C28H39 (1)

Stoich.:

AB4C7D28E39 (1)

Weight, g/mol:

597.309724

ΔHf, kcal/mol:

-148.86

Dipole, Da:

11.24

IP(EA), eV:

 -8.82(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations