Geometry & MOs

Info

ID:	378648
PubChem CID:	134224742
Reduced:	PN4O8C77H129 (1)
Stoich.:	AB4C8D77E129 (1)
Weight, g/mol:	238.057612
ΔH_f, kcal/mol:	-522.34
Dipole, Da:	9.54
IP(EA), eV:	-7.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-methylsulfanyl-1-(oxetan-3-yl)indazole

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN1C(C(=C(C(=C1/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)N)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)N)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations