Geometry & MOs

Info

ID:	227135
PubChem CID:	87560315
Reduced:	Cl2N2O2C9H16 (1)
Stoich.:	A2B2C2D9E16 (1)
Weight, g/mol:	466.209028
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	5.39
IP(EA), eV:	-10.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(4-fluorophenyl)-20-hydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17-carbothioic S-acid

Drug info:

PubChemData

Smile

CCCCCCC(Cl)Cl.C(=N)=O.C(=N)=O

DOS

IR

Vibrations