Geometry & MOs

Info

ID:	48644
PubChem CID:	11110232
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	1.14
IP(EA), eV:	-9.19(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-3-(2-methylpropoxy)phenyl]methylsulfanyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@H](COCC2=CC=CC=C2)COC(=O)C

DOS

IR

Vibrations