Geometry & MOs

Info

ID:	133415
PubChem CID:	51523705
Reduced:	FO3N4C29H52 (1)
Stoich.:	AB3C4D29E52 (1)
Weight, g/mol:	466.053138
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	19.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754774
Charge, e:	-1

Chem-info

IUPAC name:

2-(benzenesulfonamido)-N-(4-methoxycarbonylphenyl)-1,3-benzothiazole-6-carboximidate

Drug info:

PubChemData

Smile

COC1CCC(CC1OC)CC[NH2+]CC2CC3C([N-]N(C3[NH2+]C2=O)C4CCCCC4)C5CCC(CC5)F

DOS

IR

Vibrations