Geometry & MOs

Info

ID:	139165
PubChem CID:	52484247
Reduced:	NOSH8C9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	383.122501
ΔH_f, kcal/mol:	-4.38
Dipole, Da:	3.29
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2[C@@H]1NC(=O)CC3=CSC(=N3)C4=CSC=C4

DOS

IR

Vibrations