Geometry & MOs

Info

ID:	240421
PubChem CID:	93578311
Reduced:	FNSO4C21H26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	457.05586
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	5.98
IP(EA), eV:	-9.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CN(CC2=CC=CC=C2F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations