Geometry & MOs

Info

ID:	290485
PubChem CID:	104630359
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	278.08777
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	3.09
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylindol-1-yl)methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)NC2(CCOCC2)CO

DOS

IR

Vibrations