Geometry & MOs

Info

ID:	240472
PubChem CID:	93580484
Reduced:	NCl2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	431.176644
ΔH_f, kcal/mol:	-143.99
Dipole, Da:	4.15
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations