Geometry & MOs

Info

ID:	185302
PubChem CID:	77283782
Reduced:	SN4O6C14H16 (1)
Stoich.:	AB4C6D14E16 (1)
Weight, g/mol:	463.190278
ΔH_f, kcal/mol:	-199.1
Dipole, Da:	3.05
IP(EA), eV:	-9.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-ethyl-1-methyl-5-(oxan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-2-methylpyrazol-3-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(C3=CC=C(C=C3)C(=O)N)N

DOS

IR

Vibrations