Geometry & MOs

Info

ID:	244833
PubChem CID:	99431405
Reduced:	SO2F3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	438.176642
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	7.26
IP(EA), eV:	-9.31(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-oxo-4-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations