Geometry & MOs

Info

ID:	187190
PubChem CID:	77542095
Reduced:	FCl2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	15.53
Dipole, Da:	6.07
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2,2-dihydroxy-3-(2-methylphenyl)-2lambda4,1,3-benzothiadiazol-1-yl]-2-methoxybutyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C1=C(N=CN1CCC2=CNC3=C2C=CC(=C3)F)C4=C(C=C(C=C4)Cl)Cl)N

DOS

IR

Vibrations