Geometry & MOs

Info

ID:	388446
PubChem CID:	134989197
Reduced:	ClSO5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	386.895961
ΔH_f, kcal/mol:	37.54
Dipole, Da:	12.57
IP(EA), eV:	-9.59(-3.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylmethanediamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=S(C=C2)OCl(=O)(=O)=O

DOS

IR

Vibrations