Geometry & MOs

Info

ID:	195695
PubChem CID:	78724281
Reduced:	Cl2N3O4C15H17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	393.06394
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	3.78
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

COC(=O)CC1C(=O)NCCN1CC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations