Geometry & MOs

Info

ID:	401743
PubChem CID:	135052401
Reduced:	N3S3O5C11H13 (1)
Stoich.:	A3B3C5D11E13 (1)
Weight, g/mol:	304.90023
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	3.18
IP(EA), eV:	-8.9(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylsulfanyl-1-bromo-1lambda4,3-dithia-2-azacyclopenta-1,4-diene

Drug info:

PubChemData

Smile

CN(C)C(=S)S/C(=N\OS(=O)(=O)C)/C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations