Geometry & MOs

Info

ID:	56353
PubChem CID:	17425157
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	360.08116
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	3.65
IP(EA), eV:	-7.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-(furan-2-ylmethyl)-5-(2-methylindol-3-ylidene)-4H-1,3,4-thiadiazin-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)NC(C)COC

DOS

IR

Vibrations