Geometry & MOs

Info

ID:	258619
PubChem CID:	103155649
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	258.117984
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.88
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(3,4-difluorophenyl)methyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CC(CN)OC)C

DOS

IR

Vibrations