Geometry & MOs

Info

ID:	401906
PubChem CID:	135053301
Reduced:	NOSH5C6 (1)
Stoich.:	ABCD5E6 (1)
Weight, g/mol:	379.018429
ΔH_f, kcal/mol:	21.56
Dipole, Da:	3.35
IP(EA), eV:	-9.08(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxythiochromen-1-yl) 2-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CSC2C1C2N=C=O

DOS

IR

Vibrations