Geometry & MOs

Info

ID:	328096
PubChem CID:	126692042
Reduced:	SN6O7C64H120 (1)
Stoich.:	AB6C7D64E120 (1)
Weight, g/mol:	129.964399
ΔH_f, kcal/mol:	-500.87
Dipole, Da:	5.42
IP(EA), eV:	-8.55(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-thiabicyclo[3.1.0]hexa-1,4-diene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NCC1=CN(N=N1)CCCCCC(=O)NC

DOS

IR

Vibrations