Geometry & MOs

Info

ID:

423415

PubChem CID:

135119470

Reduced:

O2S2N6H14C15 (1)

Stoich.:

A2B2C6D14E15 (1)

Weight, g/mol:

530.30391

ΔHf, kcal/mol:

61.92

Dipole, Da:

3.34

IP(EA), eV:

 -9.03(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-(2,2-dimethylpropyl)-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

CC(C1=CN2C=CSC2=N1)NC(=O)C3=CC=C(O3)CSC4=NC=NN4

DOS

IR

Vibrations