Geometry & MOs

Info

ID:	164778
PubChem CID:	74451414
Reduced:	N2O5C16H28 (1)
Stoich.:	A2B5C16D28 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-235.78
Dipole, Da:	4.09
IP(EA), eV:	-9.79(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylsulfanyl-6-oxo-1,3-diazinan-4-yl)methyl 1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NCC1C(C(C(O1)CC(=O)NC2CC2)O)O

DOS

IR

Vibrations