Geometry & MOs

Info

ID:	224671
PubChem CID:	85345839
Reduced:	ClSN4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	330.145381
ΔH_f, kcal/mol:	113.64
Dipole, Da:	6.18
IP(EA), eV:	-8.49(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-1-methoxy-3-oxo-3-spiro[4H-1,3-benzoxazine-2,1'-cyclohexane]-3-ylprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NN=C2C(=NC(=N)S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations