Geometry & MOs

Info

ID:	201987
PubChem CID:	79614497
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	290.052527
ΔH_f, kcal/mol:	-110.45
Dipole, Da:	5.85
IP(EA), eV:	-9.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-cyanothiophen-2-yl)methylamino]-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1CC(OC1)COCCCNCC2=CC(=CS2)C(=O)N

DOS

IR

Vibrations