Geometry & MOs

Info

ID:	402883
PubChem CID:	135057670
Reduced:	N2S2C27H44 (1)
Stoich.:	A2B2C27D44 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	1.66
IP(EA), eV:	-8.05(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-fluoro-1,3-benzoxazol-2-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CCN(CC)C1(SC=C(S1)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)N3CCCCC3

DOS

IR

Vibrations