Geometry & MOs

Info

ID:	289376
PubChem CID:	104347884
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-229.2
Dipole, Da:	6.08
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-amino-5-sulfamoylphenyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)C2=C(C=C(C=C2)N)C(F)(F)F

DOS

IR

Vibrations