Geometry & MOs

Info

ID:	39389
PubChem CID:	8140602
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	420.135508
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	8.65
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations