Geometry & MOs

Info

ID:	308237
PubChem CID:	125324334
Reduced:	O3S3N7C15H17 (1)
Stoich.:	A3B3C7D15E17 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	4.34
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[(2R)-2-methyl-2H-indol-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC[C@@H]1NN=C(S1)NC(=O)CSC2=NC(=O)[C@@H](C(=N2)N)NC(=O)C3=CC=CS3

DOS

IR

Vibrations