Geometry & MOs

Info

ID:	65267
PubChem CID:	29211835
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	22.65
Dipole, Da:	3.9
IP(EA), eV:	-8.71(-0.12)
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-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)CSC1=NNC(=N1)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations