Geometry & MOs

Info

ID:	29664
PubChem CID:	836309
Reduced:	SN2O5C14H14 (1)
Stoich.:	AB2C5D14E14 (1)
Weight, g/mol:	308.23246
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2R)-butan-2-yl]-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)O

DOS

IR

Vibrations