Geometry & MOs

Info

ID:	217478
PubChem CID:	85087880
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	367.0354
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	4.42
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-2-methoxycyclohexylidene)amino]-3-methyl-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

CCCN1C2C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=CC=C3)N)C

DOS

IR

Vibrations