Geometry & MOs

Info

ID:	288351
PubChem CID:	104315229
Reduced:	BrO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	365.05613
ΔH_f, kcal/mol:	-26.6
Dipole, Da:	1.21
IP(EA), eV:	-9.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

Drug info:

PubChemData

Smile

CC1=C2CC(CCC2=NC(=N1)C3=NC=C(C=C3)Br)C(=O)O

DOS

IR

Vibrations