Geometry & MOs

Info

ID:	240429
PubChem CID:	93578511
Reduced:	ClNO4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	443.072485
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	4.41
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CN(CC2=CC=CO2)C[C@H](COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations