Geometry & MOs

Info

ID:	194938
PubChem CID:	78610722
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	396.135508
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	4.5
IP(EA), eV:	-7.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)OCCC

DOS

IR

Vibrations