Geometry & MOs

Info

ID:	183841
PubChem CID:	77078030
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	483.180564
ΔH_f, kcal/mol:	-197.48
Dipole, Da:	6.23
IP(EA), eV:	-9.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-1,3-diazinan-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35)O

DOS

IR

Vibrations