Geometry & MOs

Info

ID:	203262
PubChem CID:	79803184
Reduced:	SF2N2O2H10C14 (1)
Stoich.:	AB2C2D2E10F14 (1)
Weight, g/mol:	260.173607
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	4.74
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NC3=CC(=C(C=C3N2CC(=O)O)F)F

DOS

IR

Vibrations