Geometry & MOs

Info

ID:	240551
PubChem CID:	93581373
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	467.116936
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	4.91
IP(EA), eV:	-8.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=C(C=C2)N(C)C)C3=CC=CC=N3)O

DOS

IR

Vibrations