Geometry & MOs

Info

ID:	240531
PubChem CID:	93581326
Reduced:	NSO6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	407.140259
ΔH_f, kcal/mol:	-202.52
Dipole, Da:	7.93
IP(EA), eV:	-9.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(CC2=CC=CO2)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations