Geometry & MOs

Info

ID:	240511
PubChem CID:	93581179
Reduced:	ClNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	8.91
IP(EA), eV:	-9.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2R)-3-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations