Geometry & MOs

Info

ID:	240419
PubChem CID:	93578309
Reduced:	NSO3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	407.156658
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	3.3
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=C(C=CS3)C)O

DOS

IR

Vibrations