Geometry & MOs

Info

ID:	80729
PubChem CID:	49836442
Reduced:	NSO3C27H27 (1)
Stoich.:	ABC3D27E27 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	6.1
IP(EA), eV:	-8.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-1-(2-methylidenebut-3-enoxy)but-3-enyl]furan

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H](C2=CC3=CC=CC=C3C=C2)[C@H](C4=CC=CC=C4)O

DOS

IR

Vibrations