Geometry & MOs

Info

ID:	33931
PubChem CID:	7888855
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	46.06
Dipole, Da:	4.37
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations