Geometry & MOs

Info

ID:	46023
PubChem CID:	10520519
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	331.1606
ΔH_f, kcal/mol:	27.61
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethylhex-4-en-3-yl] 2-methylpropanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(CCC4=CC=CC=C43)C(=N2)NCCO

DOS

IR

Vibrations