Geometry & MOs

Info

ID:	43085
PubChem CID:	10318390
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	392.058214
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	2.67
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(4-chlorophenyl)-8a-hydroxy-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N2)C=CN=C3N4CCNCC4.Cl

DOS

IR

Vibrations