Geometry & MOs

Info

ID:	34431
PubChem CID:	7976210
Reduced:	FSN2O5C14H19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	605.16779
ΔH_f, kcal/mol:	-241.24
Dipole, Da:	4.66
IP(EA), eV:	-9.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R)-1-(adamantane-1-carbonyl)-5-phenylpyrazolidin-3-ylidene]-6-bromo-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)F

DOS

IR

Vibrations