Geometry & MOs

Info

ID:	173467
PubChem CID:	75641913
Reduced:	N2O2S2C6H11 (1)
Stoich.:	A2B2C2D6E11 (1)
Weight, g/mol:	333.146384
ΔH_f, kcal/mol:	-75.13
Dipole, Da:	7.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762979
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-phenyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

CC12CS(=O)(=O)CC1SC(=[NH+]2)N

DOS

IR

Vibrations