Geometry & MOs

Info

ID:	229546
PubChem CID:	87567989
Reduced:	FSN2O3H11C13 (2)
Stoich.:	ABC2D3E11F13 (2)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-261.07
Dipole, Da:	7.23
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)N/C(=C/3\C(=O)CC(N(C3=O)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)F)/NS2(=O)=O

DOS

IR

Vibrations