Geometry & MOs

Info

ID:	240403
PubChem CID:	93578211
Reduced:	NSO5C23H31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	407.156658
ΔH_f, kcal/mol:	-185.97
Dipole, Da:	3.8
IP(EA), eV:	-8.76(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-fluorophenyl)methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C[C@H](COC2=CC=CC(=C2)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations