Geometry & MOs

Info

ID:	159918
PubChem CID:	57298451
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	176.038139
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	5.42
IP(EA), eV:	-9.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-oxoazepane-1-sulfinate

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1C(=O)C2=C(C=CC3=CC=CC=C32)C(=O)N

DOS

IR

Vibrations