Geometry & MOs

Info

ID:	244831
PubChem CID:	99431398
Reduced:	SN2O2F3H19C22 (1)
Stoich.:	AB2C2D3E19F22 (1)
Weight, g/mol:	390.176642
ΔH_f, kcal/mol:	-168.82
Dipole, Da:	8.57
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-oxo-1-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)C2=CC=C(C=C2)SC3=CC=CC=N3)(C(F)(F)F)O

DOS

IR

Vibrations