Geometry & MOs

Info

ID:

137235

PubChem CID:

52175381

Reduced:

IN2O2C15H18 (1)

Stoich.:

AB2C2D15E18 (1)

Weight, g/mol:

351.9551

ΔHf, kcal/mol:

-0.63

Dipole, Da:

7.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.070550

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)C1=CC=C(C=C1)I)C2=CC=CO2

DOS

IR

Vibrations