Geometry & MOs

Info

ID:	390654
PubChem CID:	135000194
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	387.0599
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	1.4
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-naphthalen-2-ylsulfanyl-3-nitro-2-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CCCC[C@@]1(C[C@@H]1C2=CC=CC3=CC=CC=C32)C(=O)OCC

DOS

IR

Vibrations