Geometry & MOs

Info

ID:	25916
PubChem CID:	633741
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	3.9
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-19-methoxy-9,13-dimethyl-20-thia-18-azapentacyclo[10.5.3.01,13.04,12.05,9]icos-18-ene-11,16-dione

Drug info:

PubChemData

Smile

C1CCCC2=C3CCCCCCC3C4C(C2CC1)C(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations