Geometry & MOs

Info

ID:	248553
PubChem CID:	103082558
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	324.0285
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	3.45
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC1NCC2=CN=CS2

DOS

IR

Vibrations