Geometry & MOs

Info

ID:	140719
PubChem CID:	52746415
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	410.145342
ΔH_f, kcal/mol:	-160.86
Dipole, Da:	5.33
IP(EA), eV:	-8.92(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-2-oxoethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CNC(=O)[C@H](C)OC2=CC=C(C=C2)C(C)(C)C)O

DOS

IR

Vibrations