Geometry & MOs

Info

ID:	244869
PubChem CID:	99431522
Reduced:	N2F3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	406.150427
ΔH_f, kcal/mol:	-233.06
Dipole, Da:	7.67
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations