Geometry & MOs

Info

ID:	185520
PubChem CID:	77309032
Reduced:	SN2O6C22H32 (1)
Stoich.:	AB2C6D22E32 (1)
Weight, g/mol:	587.1795
ΔH_f, kcal/mol:	-260.62
Dipole, Da:	6.49
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CSCCC(CNC1CCC2(CC1C(=O)O)OCCO2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations