Geometry & MOs

Info

ID:	403252
PubChem CID:	135059386
Reduced:	OSiN2C32H42 (1)
Stoich.:	ABC2D32E42 (1)
Weight, g/mol:	445.059564
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroacetyl)phenanthridin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CCCCC#C[Si](C(C)C)(C(C)C)C(C)C)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations