Geometry & MOs

Info

ID:	379717
PubChem CID:	134460963
Reduced:	SO5N6C18H34 (1)
Stoich.:	AB5C6D18E34 (1)
Weight, g/mol:	327.87248
ΔH_f, kcal/mol:	-187.98
Dipole, Da:	1.45
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-(iodomethylidene)-4-oxo-2-sulfanylidenethiolan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)[C@]1(CO1)C)NS

DOS

IR

Vibrations