Geometry & MOs

Info

ID:	38030
PubChem CID:	8026494
Reduced:	SN2O4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	368.159689
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	3.46
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=NC2=C(C1=O)SC(=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations