Geometry & MOs

Info

ID:	336966
PubChem CID:	127256531
Reduced:	NaPSN2O8C9H12 (1)
Stoich.:	ABCD2E8F9G12 (1)
Weight, g/mol:	240.981171
ΔH_f, kcal/mol:	-406.12
Dipole, Da:	22.32
IP(EA), eV:	-8.88(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-chlorophenol;sulfuric acid

Drug info:

PubChemData

Smile

C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N.[Na+]

DOS

IR

Vibrations