Geometry & MOs

Info

ID:	240455
PubChem CID:	93580207
Reduced:	NSO4C24H33 (1)
Stoich.:	ABC4D24E33 (1)
Weight, g/mol:	461.223594
ΔH_f, kcal/mol:	-157.77
Dipole, Da:	8.25
IP(EA), eV:	-9.14(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,5-dimethylphenoxy)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-propoxyphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@H](COC2=CC(=CC(=C2)C)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations