Geometry & MOs

Info

ID:	437178
PubChem CID:	135215484
Reduced:	ClNO3H28C31 (1)
Stoich.:	ABC3D28E31 (1)
Weight, g/mol:	520.254184
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	4.46
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1-(5-cyclononyl-5-methyl-1,3,4-thiadiazolidin-2-yl)-N-(1-methylcyclopropyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=C(C=C5)OCC(CCl)O

DOS

IR

Vibrations