Geometry & MOs

Info

ID:	436440
PubChem CID:	135202881
Reduced:	SN4O6C38H64 (1)
Stoich.:	AB4C6D38E64 (1)
Weight, g/mol:	285.081264
ΔH_f, kcal/mol:	-318.37
Dipole, Da:	3.59
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate

Drug info:

PubChemData

Smile

CCC(CC(C)C)COCCCNC(=O)CCN1C(=O)CC(C1=O)SCCCCCC(C)C2=CC=C(C=C2)OC(=O)N(C)CCCN(C)C

DOS

IR

Vibrations