Geometry & MOs

Info

ID:	49827
PubChem CID:	11533926
Reduced:	SN3O4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	537.047887
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	4.15
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-9-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC(CC)[C@@H]1C(=O)N[C@@H](C(=O)N1CC2=CC=CC=C2S(=O)(=O)C3CCNCC3)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations