Geometry & MOs

Info

ID:	381768
PubChem CID:	134972596
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	419.180016
ΔH_f, kcal/mol:	5.58
Dipole, Da:	6.27
IP(EA), eV:	-8.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methyl-1,3-dithian-2-yl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)(/C=C/C1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations