Geometry & MOs

Info

ID:	390674
PubChem CID:	135000310
Reduced:	C13H16 (1)
Stoich.:	A13B16 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	30.82
Dipole, Da:	0.72
IP(EA), eV:	-8.87(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-butyl 1,3-benzoxazole-2-carbothioate

Drug info:

PubChemData

Smile

C/C=C/C=CCCC1=CC=CC=C1

DOS

IR

Vibrations