Geometry & MOs

Info

ID:	297136
PubChem CID:	117610162
Reduced:	O4N7C23H27 (1)
Stoich.:	A4B7C23D27 (1)
Weight, g/mol:	424.160751
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	9.7
IP(EA), eV:	-9.55(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]dec-3-en-1-one

Drug info:

PubChemData

Smile

CC1CC2(CC3CCC(C2)N3C[C@H](C4=CN=C(C=C4)N5C=NN=N5)O)C(=O)N1C6=CC(=O)OC6

DOS

IR

Vibrations