Geometry & MOs

Info

ID:	216753
PubChem CID:	85086725
Reduced:	NS2O6C9H17 (1)
Stoich.:	AB2C6D9E17 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-265.13
Dipole, Da:	4.29
IP(EA), eV:	-8.84(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1-nitro-4-phenylbut-1-enyl)sulfanylbenzene

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CN2CCCC2C1OS(=O)(=O)C

DOS

IR

Vibrations