Geometry & MOs

Info

ID:	291780
PubChem CID:	113491883
Reduced:	SF2N2O3C10H14 (1)
Stoich.:	AB2C2D3E10F14 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	5.92
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-ethyl-4-(2-hydroxybutylamino)benzamide

Drug info:

PubChemData

Smile

CCC(CNS(=O)(=O)C1=C(C=C(C(=C1)N)F)F)O

DOS

IR

Vibrations