Geometry & MOs

Info

ID:	202455
PubChem CID:	79674447
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	379.91363
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	5.25
IP(EA), eV:	-9.03(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-cyanomorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)N2CCOC(C2)C#N)C

DOS

IR

Vibrations