Geometry & MOs

Info

ID:	188673
PubChem CID:	77752558
Reduced:	ClSN2O5C28H37 (1)
Stoich.:	ABC2D5E28F37 (1)
Weight, g/mol:	577.255226
ΔH_f, kcal/mol:	-199.01
Dipole, Da:	7.52
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[2-methyl-4-(2-oxo-2-phenylacetyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(C(=O)C(C(CC(=O)NC(CC=C(CCO1)Cl)C2=CC3=C(C=C2)SC(=N3)C)O)(C)C)CC=C)O

DOS

IR

Vibrations