Geometry & MOs

Info

ID:	157110
PubChem CID:	56422144
Reduced:	OF3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	384.099122
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	5.5
IP(EA), eV:	-8.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methylsulfonyl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C1=CC2=C(C=C1)NC=C2)C(=O)CN3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations