Geometry & MOs

Info

ID:	139747
PubChem CID:	52588814
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	373.088498
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	3.39
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(S1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C

DOS

IR

Vibrations