Geometry & MOs

Info

ID:	398935
PubChem CID:	135036430
Reduced:	N3O6C25H31 (1)
Stoich.:	A3B6C25D31 (1)
Weight, g/mol:	428.158786
ΔH_f, kcal/mol:	-208.82
Dipole, Da:	5.07
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9S)-4,9-bis(4-fluorophenyl)-4,9-dimethyl-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),7(11),12,14-pentaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N\1C[C@H](N(/C1=N/C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)OC)CO

DOS

IR

Vibrations