Geometry & MOs

Info

ID:	272586
PubChem CID:	103748989
Reduced:	SN3O3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	8.2
IP(EA), eV:	-9.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)C(=O)NC2=NN=CS2)O

DOS

IR

Vibrations