Geometry & MOs

Info

ID:	211031
PubChem CID:	80886290
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	286.109962
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	2.32
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)SC(C)C)C(C)C

DOS

IR

Vibrations