Geometry & MOs

Info

ID:	153935
PubChem CID:	56313280
Reduced:	FNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	404.166684
ΔH_f, kcal/mol:	-36.65
Dipole, Da:	3.35
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CSC=C1)C2=CC=CC=C2F

DOS

IR

Vibrations