Geometry & MOs

Info

ID:	429436
PubChem CID:	135169485
Reduced:	SO5N8C29H36 (1)
Stoich.:	AB5C8D29E36 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-141.45
Dipole, Da:	9.04
IP(EA), eV:	-9.4(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1,3-benzothiazol-6-ol

Drug info:

PubChemData

Smile

CC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations