Geometry & MOs

Info

ID:	444347
PubChem CID:	135262150
Reduced:	NO2F3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	481.128312
ΔH_f, kcal/mol:	-211.65
Dipole, Da:	5.07
IP(EA), eV:	-9.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-oxo-2-[4-[2,2,2-trifluoro-1-hydroxy-1-(1-methylimidazol-4-yl)ethyl]anilino]ethyl]phenyl]ethanesulfinic acid

Drug info:

PubChemData

Smile

C1CC1C2CCC3CCNC(C4=CC=CC2=C34)OC(=O)C(F)(F)F

DOS

IR

Vibrations