Geometry & MOs

Info

ID:	226192
PubChem CID:	87349908
Reduced:	FLiSO3N7H23C25 (1)
Stoich.:	ABCD3E7F23G25 (1)
Weight, g/mol:	435.155847
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	58.63
IP(EA), eV:	-6.58(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(1-tritylimidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

[Li+].CCNC(=O)NC1=NC2=C(S1)C(=CC(=C2F)C3=CN=C(N=C3)N4CCC(CC4)C(=O)[O-])C5=CC=CC=N5

DOS

IR

Vibrations