Geometry & MOs

Info

ID:	298456
PubChem CID:	117649918
Reduced:	O8C29H34 (1)
Stoich.:	A8B29C34 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	3.13
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-methyl-1,3-benzoxazole-2-thione

Drug info:

PubChemData

Smile

C1CC2C(O2)CC1COCOC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)OCOCC5CCC6C(C5)O6

DOS

IR

Vibrations