Geometry & MOs

Info

ID:	201985
PubChem CID:	79613692
Reduced:	OSN2F3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	6.74
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4-amino-4-oxobutyl)amino]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=CC(=CS2)C#N)F)OC(F)F

DOS

IR

Vibrations