Geometry & MOs

Info

ID:	218599
PubChem CID:	85089666
Reduced:	O3C32H50 (1)
Stoich.:	A3B32C50 (1)
Weight, g/mol:	482.98024
ΔH_f, kcal/mol:	-210.77
Dipole, Da:	4.47
IP(EA), eV:	-9.37(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,8-dibromo-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene)amino]-3-methyl-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CC(=O)C3=C2CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C

DOS

IR

Vibrations