Geometry & MOs

Info

ID:	66163
PubChem CID:	46500347
Reduced:	NO3H24C25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	425.13038
ΔH_f, kcal/mol:	-34.03
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.432755
Charge, e:	0

Chem-info

IUPAC name:

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N'-(4-methylphenyl)sulfonylacetohydrazide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations