Geometry & MOs

Info

ID:	240440
PubChem CID:	93579514
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	427.102035
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	2.43
IP(EA), eV:	-8.14(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-chlorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-fluorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(C=C2)N(C)C)C3=CC=CC=N3)O

DOS

IR

Vibrations