Geometry & MOs

Info

ID:	244929
PubChem CID:	99431610
Reduced:	N2O2S2F3H21C22 (1)
Stoich.:	A2B2C2D3E21F22 (1)
Weight, g/mol:	438.176642
ΔH_f, kcal/mol:	-176.42
Dipole, Da:	8.07
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations