Geometry & MOs

Info

ID:	240412
PubChem CID:	93578298
Reduced:	NSCl2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	473.167222
ΔH_f, kcal/mol:	-150.42
Dipole, Da:	10.07
IP(EA), eV:	-9.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(CC2=C(C=C(C=C2)Cl)Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations