Geometry & MOs

Info

ID:	304325
PubChem CID:	124526306
Reduced:	ClNOC21H26 (1)
Stoich.:	ABCD21E26 (1)
Weight, g/mol:	334.117356
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	2.46
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methanamine

Drug info:

PubChemData

Smile

CCCCN1CC[C@H](C1)O[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations