Geometry & MOs

Info

ID:	147472
PubChem CID:	53787128
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	212.059269
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-carboxy-1-sulfoethyl)-trimethylazanium

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2C3=NC(=CS3)C4=CC(=CC=C4)OC)C(=O)OC)C

DOS

IR

Vibrations