Geometry & MOs

Info

ID:	300055
PubChem CID:	118111037
Reduced:	FSCl2N2O4C23H25 (1)
Stoich.:	ABC2D2E4F23G25 (1)
Weight, g/mol:	474.129457
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	5.21
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(1-methylsulfonylpiperidin-4-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC(=C1)Cl)Cl)N2CC(C2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F

DOS

IR

Vibrations