Geometry & MOs

Info

ID:	63861
PubChem CID:	26759341
Reduced:	N2F3O6H19C21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	443.98131
ΔH_f, kcal/mol:	-370.52
Dipole, Da:	2.03
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations