Geometry & MOs

Info

ID:	240555
PubChem CID:	93581408
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	489.218509
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	6.01
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[(4-tert-butylphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@@H](CN(CC2=CC=CC=C2)CC3=CC=CO3)O

DOS

IR

Vibrations