Geometry & MOs

Info

ID:	366865
PubChem CID:	127320725
Reduced:	NS2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	345.118084
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	3.64
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4CCCS(=O)(=O)C4)C

DOS

IR

Vibrations