Geometry & MOs

Info

ID:	16188
PubChem CID:	461079
Reduced:	NO5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	455.173273
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	7.76
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-hydroxy-4-oxochromen-3-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C4=C(OC5=CC=CC=C5C4=O)O

DOS

IR

Vibrations