Geometry & MOs

Info

ID:	300057
PubChem CID:	118111074
Reduced:	N2S2F4O6C23H24 (1)
Stoich.:	A2B2C4D6E23F24 (1)
Weight, g/mol:	568.136562
ΔH_f, kcal/mol:	-374.5
Dipole, Da:	3.42
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)S(=O)(=O)C4=CC(=C(C(=C4)F)F)F)F

DOS

IR

Vibrations