Geometry & MOs

Info

ID:	32443
PubChem CID:	7836064
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-126.95
Dipole, Da:	1.22
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations