Geometry & MOs

Info

ID:	62905
PubChem CID:	26737577
Reduced:	FSCl2N2O3C19H19 (1)
Stoich.:	ABC2D2E3F19G19 (1)
Weight, g/mol:	446.139233
ΔH_f, kcal/mol:	-142.74
Dipole, Da:	4.03
IP(EA), eV:	-9.38(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(1R,2S,6S,7S)-10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)F

DOS

IR

Vibrations