Geometry & MOs

Info

ID:	36859
PubChem CID:	8013846
Reduced:	O7C20H22 (1)
Stoich.:	A7B20C22 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-238.54
Dipole, Da:	1.49
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations