Geometry & MOs

Info

ID:	155418
PubChem CID:	56355060
Reduced:	O3N5H23C28 (1)
Stoich.:	A3B5C23D28 (1)
Weight, g/mol:	430.109962
ΔH_f, kcal/mol:	9.08
Dipole, Da:	7.16
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=NC=C5

DOS

IR

Vibrations