Geometry & MOs

Info

ID:	401902
PubChem CID:	135053280
Reduced:	NO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	422.982435
ΔH_f, kcal/mol:	-147.2
Dipole, Da:	9.29
IP(EA), eV:	-8.25(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]-4-chlorothiochromen-1-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C(N1)CCCCCCCCCCC(=O)C)OC

DOS

IR

Vibrations