Geometry & MOs

Info

ID:	177005
PubChem CID:	76124315
Reduced:	SN3O5C9H15 (1)
Stoich.:	AB3C5D9E15 (1)
Weight, g/mol:	358.107282
ΔH_f, kcal/mol:	-232.56
Dipole, Da:	2.51
IP(EA), eV:	-9.35(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-(pyridin-1-ium-1-ylmethyl)azetidine-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)O)NC(=O)CNC(=O)CS

DOS

IR

Vibrations