Geometry & MOs

Info

ID:	157104
PubChem CID:	56422131
Reduced:	OS2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	411.045982
ΔH_f, kcal/mol:	48.88
Dipole, Da:	5.2
IP(EA), eV:	-8.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitroindol-1-yl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NN=CS3)C(C)C

DOS

IR

Vibrations