Geometry & MOs

Info

ID:	240431
PubChem CID:	93578664
Reduced:	ClNO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	425.133065
ΔH_f, kcal/mol:	-127.82
Dipole, Da:	3.06
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3Cl)O

DOS

IR

Vibrations