Geometry & MOs

Info

ID:	63447
PubChem CID:	26758362
Reduced:	NSO3F4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	499.25834
ΔH_f, kcal/mol:	-280.65
Dipole, Da:	7.31
IP(EA), eV:	-9.26(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2R)-4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations