Geometry & MOs

Info

ID:	147843
PubChem CID:	53787501
Reduced:	OF3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	499.192963
ΔH_f, kcal/mol:	-166.97
Dipole, Da:	2.89
IP(EA), eV:	-9.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-propoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

COC(C=CC1=CC=CC=C1)C(F)(F)F

DOS

IR

Vibrations