Geometry & MOs

Info

ID:	302481
PubChem CID:	124361930
Reduced:	FOSN3H16C25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	457.124883
ΔH_f, kcal/mol:	132.49
Dipole, Da:	5.74
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3aS)-1-benzoyl-2-thiophen-2-yl-2,3a-dihydro-1H-naphtho[1,2-e]indolizine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2[C@@H]3C([C@@H]([C@@H](N3C=CC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CSC=C5)(C#N)C#N

DOS

IR

Vibrations