Geometry & MOs

Info

ID:	240537
PubChem CID:	93581333
Reduced:	ClFNSO5C22H25 (1)
Stoich.:	ABCDE5F22G25 (1)
Weight, g/mol:	437.133065
ΔH_f, kcal/mol:	-223.33
Dipole, Da:	4.94
IP(EA), eV:	-9.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(3-methylthiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=C(C=CC=C2Cl)F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations