Geometry & MOs

Info

ID:	148415
PubChem CID:	53788077
Reduced:	ClS2N3O4C7H12 (1)
Stoich.:	AB2C3D4E7F12 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-113.12
Dipole, Da:	2.98
IP(EA), eV:	-9.22(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-2-enedial

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=NOC(=O)N(C)S(=O)Cl)SC

DOS

IR

Vibrations