Geometry & MOs

Info

ID:	390465
PubChem CID:	134999284
Reduced:	NO4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	243.020144
ΔH_f, kcal/mol:	-208.03
Dipole, Da:	2.7
IP(EA), eV:	-9.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-1,2-benzoxazol-3-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H]1CC(=C)C(=O)O1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations