Geometry & MOs

Info

ID:	222058
PubChem CID:	85293692
Reduced:	SN3O4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	512.086378
ΔH_f, kcal/mol:	-153.1
Dipole, Da:	2.07
IP(EA), eV:	-8.83(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate

Drug info:

PubChemData

Smile

CC(C)(C)SCC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCOCC3

DOS

IR

Vibrations