Geometry & MOs

Info

ID:	337142
PubChem CID:	127256707
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	264.118401
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	3.14
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6R)-2,2-dimethyl-6-phenylthian-4-yl] acetate

Drug info:

PubChemData

Smile

C1C=CC(CC1[N+](=O)[O-])C(=O)OC2=CCSC=C2

DOS

IR

Vibrations