Geometry & MOs

Info

ID:

214638

PubChem CID:

85083325

Reduced:

NSO3C36H37 (1)

Stoich.:

ABC3D36E37 (1)

Weight, g/mol:

556.173332

ΔHf, kcal/mol:

-50.23

Dipole, Da:

1.77

IP(EA), eV:

 -8.29(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-acetyl-5,7,10,16,19,21-hexamethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,7,10,12,15,18,20-decaene-9,17-dione

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)N1C(CCC1=O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations