Geometry & MOs

Info

ID:	396745
PubChem CID:	135029139
Reduced:	SH22C27 (1)
Stoich.:	AB22C27 (1)
Weight, g/mol:	347.113313
ΔH_f, kcal/mol:	99.03
Dipole, Da:	1.76
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[3-(trifluoromethyl)phenanthridin-6-yl]propanoate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2C1(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations