Geometry & MOs

Info

ID:	210679
PubChem CID:	80839668
Reduced:	SN4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	287.105211
ΔH_f, kcal/mol:	4.56
Dipole, Da:	0.97
IP(EA), eV:	-8.65(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothian-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)C)NCCCSC

DOS

IR

Vibrations