Geometry & MOs

Info

ID:	61681
PubChem CID:	26711766
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	409.149384
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cycloheptyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCCCCC2)[N+](=O)[O-]

DOS

IR

Vibrations