Geometry & MOs

Info

ID:	388784
PubChem CID:	134990198
Reduced:	SO12C26H30 (1)
Stoich.:	AB12C26D30 (1)
Weight, g/mol:	217.071448
ΔH_f, kcal/mol:	-461.29
Dipole, Da:	7.0
IP(EA), eV:	-9.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)O)O)O

DOS

IR

Vibrations