Geometry & MOs

Info

ID:	411834
PubChem CID:	135084679
Reduced:	NC17H18 (2)
Stoich.:	AB17C18 (2)
Weight, g/mol:	516.019282
ΔH_f, kcal/mol:	95.89
Dipole, Da:	2.24
IP(EA), eV:	-8.58(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-2-methyl-4,5-diphenyl-1,3-bis(trifluoromethylsulfonyl)-1,3,2-diazalumolidine

Drug info:

PubChemData

Smile

C1C[C@@H](N([C@H]1C2=CC=CC=C2)CCN3[C@H](CC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations