Geometry & MOs

Info

ID:	244904
PubChem CID:	99431561
Reduced:	N2F3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	454.16166
ΔH_f, kcal/mol:	-248.29
Dipole, Da:	2.7
IP(EA), eV:	-9.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCC(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations