Geometry & MOs

Info

ID:	130870
PubChem CID:	51119321
Reduced:	NS2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	2.15
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)C)SC2=CC=CC=C2

DOS

IR

Vibrations