Geometry & MOs

Info

ID:	244854
PubChem CID:	99431487
Reduced:	F3N3O3H24C26 (1)
Stoich.:	A3B3C3D24E26 (1)
Weight, g/mol:	442.150427
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	7.02
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=CC=C3C(=O)NCC[C@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations