Geometry & MOs

Info

ID:	240453
PubChem CID:	93580184
Reduced:	ClNO3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	437.142757
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	4.23
IP(EA), eV:	-8.83(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=CC(=C(C=C3)Cl)C)O

DOS

IR

Vibrations