Geometry & MOs

Info

ID:	240426
PubChem CID:	93578317
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	419.176644
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	4.45
IP(EA), eV:	-8.63(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3)O

DOS

IR

Vibrations