Geometry & MOs

Info

ID:	32440
PubChem CID:	7836014
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	3.4
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations