Geometry & MOs

Info

ID:	240535
PubChem CID:	93581331
Reduced:	NO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	469.1126
ΔH_f, kcal/mol:	-169.73
Dipole, Da:	8.48
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(2-chloro-6-fluorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C[C@H]2CCCO2)C[C@@H](COC3=CC=CC=C3C(=O)C)O

DOS

IR

Vibrations