Geometry & MOs

Info

ID:	64484
PubChem CID:	29201464
Reduced:	SN4O6C15H18 (1)
Stoich.:	AB4C6D15E18 (1)
Weight, g/mol:	492.102493
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	9.51
IP(EA), eV:	-9.54(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=C(ON=C2C)C)[N+](=O)[O-]

DOS

IR

Vibrations