Geometry & MOs

Info

ID:	190312
PubChem CID:	77984260
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	586.242749
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	3.94
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[[4-[[3-(1,3-dihydroxybutan-2-yloxymethyl)-2-oxo-4,5-dihydropyrimidin-6-yl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=CNC1=CC=CC=N1)C2CC(=O)N(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations