Geometry & MOs

Info

ID:	209477
PubChem CID:	80677962
Reduced:	BrNSO3C8H14 (1)
Stoich.:	ABCD3E8F14 (1)
Weight, g/mol:	398.87894
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	7.02
IP(EA), eV:	-9.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)N1CCCC1CBr

DOS

IR

Vibrations