Geometry & MOs

Info

ID:

419794

PubChem CID:

135109067

Reduced:

NSO5C18H25 (1)

Stoich.:

ABC5D18E25 (1)

Weight, g/mol:

606.26244

ΔHf, kcal/mol:

-194.21

Dipole, Da:

9.79

IP(EA), eV:

 -9.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-(2,3-dihydro-1-benzofuran-5-carbonyl)-21-methyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations