Geometry & MOs

Info

ID:	354105
PubChem CID:	127286036
Reduced:	BrSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	360.171893
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	4.06
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCN(CCN1C(=O)CNC1=O)C2CCSC3=C2C=C(C=C3)Br

DOS

IR

Vibrations