Geometry & MOs

Info

ID:	56013
PubChem CID:	17403737
Reduced:	ClSN2O2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	4.04
IP(EA), eV:	-9.09(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=CC(=O)N3C=CSC3=N2)Cl

DOS

IR

Vibrations