Geometry & MOs

Info

ID:	240459
PubChem CID:	93580268
Reduced:	NSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	471.07151
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	2.56
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(CC2=CC=CO2)C[C@@H](COC3=CC(=CC(=C3)C)C)O

DOS

IR

Vibrations