Geometry & MOs

Info

ID:	424810
PubChem CID:	135124024
Reduced:	ClSO4N5C30H36 (1)
Stoich.:	ABC4D5E30F36 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	1.77
IP(EA), eV:	-8.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(5-oxido-10-oxophenazin-10-ium-1-yl) N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)C)C)C(C)(C)C(=O)N)Cl

DOS

IR

Vibrations