Geometry & MOs

Info

ID:	269117
PubChem CID:	103614643
Reduced:	SBr2N2O3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	391.9558
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	4.64
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)NCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations