Geometry & MOs

Info

ID:	147705
PubChem CID:	53787362
Reduced:	ON2C11H26 (1)
Stoich.:	AB2C11D26 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	2.21
IP(EA), eV:	-8.68(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(benzylamino)methylidene]-4-hydroxy-7,8-dihydro-6H-1,4-thiazecin-5-one

Drug info:

PubChemData

Smile

CCC(CC)(C(C)O)NCCCCN

DOS

IR

Vibrations