Geometry & MOs

Info

ID:	30663
PubChem CID:	841641
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	4.79
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)NNC(=O)C3=CC=CC=C3N

DOS

IR

Vibrations