Geometry & MOs

Info

ID:	202545
PubChem CID:	79683420
Reduced:	FNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	381.00079
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	4.36
IP(EA), eV:	-9.31(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-5-iodothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CSCC(CO)O)C#N

DOS

IR

Vibrations