Geometry & MOs

Info

ID:	146087
PubChem CID:	53633709
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	177.98707
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	6.06
IP(EA), eV:	-9.43(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dithiolan-4-ylideneamino) carbamate

Drug info:

PubChemData

Smile

CCCCOC(C)OC1=CC=C(C=C1)CCC(=C)C(=O)O

DOS

IR

Vibrations