Geometry & MOs

Info

ID:	60642
PubChem CID:	26697330
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2CCCC2)OCCOC3=CC=CC=C3

DOS

IR

Vibrations