Geometry & MOs

Info

ID:	189727
PubChem CID:	77896178
Reduced:	FNO4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	578.173713
ΔH_f, kcal/mol:	-257.98
Dipole, Da:	7.02
IP(EA), eV:	-9.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-chloro-4-[3-[5-[[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]pyrazolidin-4-yl]phenyl]methyl-(2-ethoxy-2-oxoethyl)azanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1C(=O)O)F

DOS

IR

Vibrations