Geometry & MOs

Info

ID:	233031
PubChem CID:	87691557
Reduced:	S6O7C34H40 (1)
Stoich.:	A6B7C34D40 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-219.63
Dipole, Da:	5.15
IP(EA), eV:	-7.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-ethenoxyhexa-2,5-dienoic acid

Drug info:

PubChemData

Smile

CC1(SC2=C(S1)C(=C(C(=C2)OC)OC)C(C3=C(C(=CC4=C3SC(S4)(C)C)OC)OC)(C5=C(C(=CC6=C5SC(S6)(C)C)OC)OC)O)C

DOS

IR

Vibrations