Geometry & MOs

Info

ID:	427998
PubChem CID:	135165663
Reduced:	BrSN2O2C11H17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	492.099808
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	2.03
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethylsulfonyl)-3-(7-methoxy-2-methyl-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)Br)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations