Geometry & MOs

Info

ID:	429412
PubChem CID:	135169444
Reduced:	SCl2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	7.79
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]pyridin-2-yl]-3-methyliminoprop-1-ene-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)NC3CCCC[C@@H]3O)Cl)OCC4=NC(=NC=C4)Cl

DOS

IR

Vibrations