Geometry & MOs

Info

ID:	322003
PubChem CID:	126668020
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	492.125453
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	2.29
IP(EA), eV:	-9.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(3-oxopiperazin-1-yl)-5-(pentafluoro-lambda6-sulfanyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1CC([C@@H]2[C@H]1C2)CC(C)OC(=O)[C@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations