Geometry & MOs

Info

ID:	157602
PubChem CID:	56435984
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-229.52
Dipole, Da:	4.84
IP(EA), eV:	-9.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations