Geometry & MOs

Info

ID:	261811
PubChem CID:	103252508
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	346.989818
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	4.77
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3,5-dichloro-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/CNCC1CN(CCN1C)C)/C(=O)O

DOS

IR

Vibrations