Geometry & MOs

Info

ID:	32155
PubChem CID:	4266413
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	678.138981
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-4-[4-(2,4-dichlorophenoxy)phenyl]-9-[[4-(diethylamino)phenyl]methyl]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C2=C(C=C1)C3=CC=CC=C3C(=O)O2)C

DOS

IR

Vibrations