Geometry & MOs

Info

ID:	374056
PubChem CID:	131323059
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	4.61
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxan-4-yl)hexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C2C=C(SC2=CC(=C1)CCl)N

DOS

IR

Vibrations