Geometry & MOs

Info

ID:	396307
PubChem CID:	135028042
Reduced:	SiN2O7C25H43 (2)
Stoich.:	AB2C7D25E43 (2)
Weight, g/mol:	277.067369
ΔH_f, kcal/mol:	-763.14
Dipole, Da:	7.8
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-methylsulfanyl-9H-fluorene-2,4-dicarbonitrile

Drug info:

Smile

CCOC1C2C3[C@](C4C([C@]2([C@H](O1)C(O3)(O4)O[Si](C(C)C)(C(C)C)C(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)([C@@H]([C@H]5C(=O)OC6[C@H]7CC[C@@](C6=N5)(C7(C)C)C)O)O

DOS

IR

Vibrations