Geometry & MOs

Info

ID:	228447
PubChem CID:	87564535
Reduced:	S2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	325.163771
ΔH_f, kcal/mol:	-58.57
Dipole, Da:	6.0
IP(EA), eV:	-9.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-cyclopropyl-2-diazonio-1-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopent-2-en-3-olate

Drug info:

PubChemData

Smile

CC1=CSC(=C1S(=O)(=O)C2=CC=CC=C2)C=O

DOS

IR

Vibrations