Geometry & MOs

Info

ID:	313278
PubChem CID:	126613411
Reduced:	N5O8H37C43 (1)
Stoich.:	A5B8C37D43 (1)
Weight, g/mol:	372.172545
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	8.74
IP(EA), eV:	-8.38(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-ethyl-9H-xanthen-9-yl)-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=O)N3[C@H]1CC4=CC=CC=C43)OC)OCC5=CC(=CC(=C5)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations