Geometry & MOs

Info

ID:	240442
PubChem CID:	93579530
Reduced:	FSN2O4C22H29 (1)
Stoich.:	ABC2D4E22F29 (1)
Weight, g/mol:	399.097429
ΔH_f, kcal/mol:	-173.55
Dipole, Da:	9.28
IP(EA), eV:	-8.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(thiophen-2-ylmethyl)amino]-3-(4-fluorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations