Geometry & MOs

Info

ID:	447247
PubChem CID:	135281443
Reduced:	FNCl2O5H28C30 (1)
Stoich.:	ABC2D5E28F30 (1)
Weight, g/mol:	363.100618
ΔH_f, kcal/mol:	-207.0
Dipole, Da:	7.35
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC(C1CCC1)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)C(CC(=O)O)C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations