Geometry & MOs

Info

ID:	197215
PubChem CID:	78938547
Reduced:	ClSN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	64.65
Dipole, Da:	5.85
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3-ethylphenoxy)-3-nitrophenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC2=NN=CN2C)Cl)N

DOS

IR

Vibrations