Geometry & MOs

Info

ID:	240374
PubChem CID:	93578020
Reduced:	NSO3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	393.141008
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	3.27
IP(EA), eV:	-8.99(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@H]2CCCO2)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations