Geometry & MOs

Info

ID:	311193
PubChem CID:	126589851
Reduced:	N3O3C35H43 (1)
Stoich.:	A3B3C35D43 (1)
Weight, g/mol:	376.122321
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	2.83
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S)-11-[(3-fluorophenyl)methyl]-4-phenyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)N4CCC5CCCCC5C4)CC(=O)OC(C)C

DOS

IR

Vibrations