Geometry & MOs

Info

ID:	240384
PubChem CID:	93578077
Reduced:	NSO7C24H33 (1)
Stoich.:	ABC7D24E33 (1)
Weight, g/mol:	439.18173
ΔH_f, kcal/mol:	-242.67
Dipole, Da:	8.15
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(naphthalen-1-ylmethyl)amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations