Geometry & MOs

Info

ID:	409483
PubChem CID:	135082265
Reduced:	SN2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	239.044324
ΔH_f, kcal/mol:	-125.11
Dipole, Da:	5.33
IP(EA), eV:	-10.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diisocyanato-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)N=C=O

DOS

IR

Vibrations