Geometry & MOs

Info

ID:	180929
PubChem CID:	76706279
Reduced:	SN2O6C22H34 (1)
Stoich.:	AB2C6D22E34 (1)
Weight, g/mol:	297.019271
ΔH_f, kcal/mol:	-277.63
Dipole, Da:	9.71
IP(EA), eV:	-9.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-3-oxo-1H-inden-2-ylidene)-2,1-benzoxazol-5-one

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=CC(=C1)C(C)CS(=O)(=O)CCCOCN2CCC(=O)NC2=O

DOS

IR

Vibrations