Geometry & MOs

Info

ID:	194939
PubChem CID:	78610723
Reduced:	SN2O6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-231.2
Dipole, Da:	3.65
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-but-2-enoylpiperazin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations