Geometry & MOs

Info

ID:	240481
PubChem CID:	93580823
Reduced:	ClNO4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	493.177038
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	2.38
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(3,4,5-trimethoxyphenyl)methyl]amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)OC[C@H](CN(CC2=CC=C(C=C2)Cl)CC3=CC=CO3)O

DOS

IR

Vibrations