Geometry & MOs

Info

ID:	32455
PubChem CID:	7836298
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	3.28
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethylanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations