Geometry & MOs

Info

ID:	284990
PubChem CID:	104088295
Reduced:	SO2N5C12H21 (1)
Stoich.:	AB2C5D12E21 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	3.95
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC(C)CO)N2CCOCC2

DOS

IR

Vibrations