Geometry & MOs

Info

ID:	38913
PubChem CID:	8138152
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	4.41
IP(EA), eV:	-9.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations