Geometry & MOs

Info

ID:	55884
PubChem CID:	17397006
Reduced:	NSF3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-266.37
Dipole, Da:	2.81
IP(EA), eV:	-9.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations