Geometry & MOs

Info

ID:	124792
PubChem CID:	50896093
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	225.026709
ΔH_f, kcal/mol:	-157.09
Dipole, Da:	7.34
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-3-yl-1,3,6,2-dioxazaborocane-4,8-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3CC(CC3=O)C(=O)OC)Cl

DOS

IR

Vibrations