Geometry & MOs

Info

ID:	258560
PubChem CID:	103154964
Reduced:	SN3O4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	293.128803
ΔH_f, kcal/mol:	-148.31
Dipole, Da:	6.31
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)N)NC(=O)CC(CN)OC

DOS

IR

Vibrations