Geometry & MOs

Info

ID:	211061
PubChem CID:	80891832
Reduced:	OSN5C8H9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	295.121529
ΔH_f, kcal/mol:	40.11
Dipole, Da:	1.07
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)SC2=NN=C(O2)C)N

DOS

IR

Vibrations