Geometry & MOs

Info

ID:	32441
PubChem CID:	7836052
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-128.93
Dipole, Da:	3.2
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations