Geometry & MOs

Info

ID:	49080
PubChem CID:	11528688
Reduced:	BNSO2C10H16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	225.045964
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	3.32
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(1R)-2-nitro-1-phenylethyl] ethanethioate

Drug info:

PubChemData

Smile

B(C1=C(SC=C1)CN2CCCCC2)(O)O

DOS

IR

Vibrations