Geometry & MOs

Info

ID:	366185
PubChem CID:	127319598
Reduced:	N2S2O5C17H18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	398.02998
ΔH_f, kcal/mol:	-167.99
Dipole, Da:	10.98
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-methylindol-1-yl)-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O

DOS

IR

Vibrations