Geometry & MOs

Info

ID:	54511
PubChem CID:	17388797
Reduced:	SN3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	450.078047
ΔH_f, kcal/mol:	61.29
Dipole, Da:	2.58
IP(EA), eV:	-8.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC(=NC(=N1)SC2=NC3=CC=CC=C3S2)NC(C)(C)C

DOS

IR

Vibrations