Geometry & MOs

Info

ID:	272607
PubChem CID:	103749861
Reduced:	SN2O2F4C9H10 (1)
Stoich.:	AB2C2D4E9F10 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	9.1
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC1=C(C(=NC(=C1F)F)F)F

DOS

IR

Vibrations