Geometry & MOs

Info

ID:

423525

PubChem CID:

135119672

Reduced:

NSO2C7H11 (2)

Stoich.:

ABC2D7E11 (2)

Weight, g/mol:

736.274661

ΔHf, kcal/mol:

-149.18

Dipole, Da:

4.45

IP(EA), eV:

 -8.98(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,18R)-18-benzyl-16-(2,5-dimethylthiophen-3-yl)sulfonyl-3,12-dimethyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC2=CSC=C2

DOS

IR

Vibrations