Geometry & MOs

Info

ID:	240427
PubChem CID:	93578380
Reduced:	NSO5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	409.111457
ΔH_f, kcal/mol:	-175.2
Dipole, Da:	5.56
IP(EA), eV:	-8.55(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-chlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC[C@@H](CN(CC2=CC(=CC=C2)OC)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations