Geometry & MOs

Info

ID:	230180
PubChem CID:	87570365
Reduced:	O4C18H29 (2)
Stoich.:	A4B18C29 (2)
Weight, g/mol:	192.097272
ΔH_f, kcal/mol:	-412.59
Dipole, Da:	7.14
IP(EA), eV:	-8.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-diene;styrene;sulfane

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.CCC(=O)OC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C(CO)O

DOS

IR

Vibrations