Geometry & MOs

Info

ID:	396385
PubChem CID:	135028238
Reduced:	BNC23H32 (1)
Stoich.:	ABC23D32 (1)
Weight, g/mol:	504.111991
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	4.77
IP(EA), eV:	-8.24(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,10S,12R,14S)-1,11-bis(trifluoromethyl)-21-oxa-6,16-diazaoctacyclo[9.9.1.13,9.113,19.02,10.04,8.012,20.014,18]tricosane-5,7,15,17-tetrone

Drug info:

PubChemData

Smile

[BH-]1(C([N+]12CCCC2)C3=C(C=C(C=C3C)C)C)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations