Geometry & MOs

Info

ID:	47000
PubChem CID:	10528842
Reduced:	SO2N3C29H29 (1)
Stoich.:	AB2C3D29E29 (1)
Weight, g/mol:	485.04899
ΔH_f, kcal/mol:	33.23
Dipole, Da:	2.08
IP(EA), eV:	-8.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-1,3-oxaselenolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)S(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C

DOS

IR

Vibrations