Geometry & MOs

Info

ID:	346315
PubChem CID:	127270819
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-56.4
Dipole, Da:	1.98
IP(EA), eV:	-8.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propyl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2CCC(C2)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations