Geometry & MOs

Info

ID:	402059
PubChem CID:	135054106
Reduced:	BrN2S3O7C25H25 (1)
Stoich.:	AB2C3D7E25F25 (1)
Weight, g/mol:	603.091612
ΔH_f, kcal/mol:	-218.08
Dipole, Da:	10.0
IP(EA), eV:	-9.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-azido-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCBr)N2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations