Geometry & MOs

Info

ID:	405158
PubChem CID:	135072795
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	525.11982
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	3.99
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyselenolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)/N=C/2\CCC3=CC=CC=C32)C

DOS

IR

Vibrations