Geometry & MOs

Info

ID:	131118
PubChem CID:	51159054
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	342.116877
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	5.54
IP(EA), eV:	-9.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(2-methylpropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C)C)C

DOS

IR

Vibrations