Geometry & MOs

Info

ID:	240479
PubChem CID:	93580774
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	437.106372
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	3.32
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=CC=C2)C[C@@H](COC3=CC=CC(=C3)C=O)O

DOS

IR

Vibrations