Geometry & MOs

Info

ID:	60695
PubChem CID:	26697438
Reduced:	BrSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-157.57
Dipole, Da:	6.5
IP(EA), eV:	-9.67(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC[C@H]3CCCO3)Br

DOS

IR

Vibrations