Geometry & MOs

Info

ID:	140403
PubChem CID:	52692275
Reduced:	SN2O5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-150.15
Dipole, Da:	8.49
IP(EA), eV:	-8.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(2-phenylethoxy)propyl]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCOC2=CC=CC3=CC=CC=C32)S(=O)(=O)NC4CCCC4

DOS

IR

Vibrations