Geometry & MOs

Info

ID:	158750
PubChem CID:	56468314
Reduced:	FON7H20C22 (1)
Stoich.:	ABC7D20E22 (1)
Weight, g/mol:	432.152158
ΔH_f, kcal/mol:	77.79
Dipole, Da:	13.41
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(2S)-1-[4-fluoro-3-(5-methyltetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)NC4=CC(=C(C=C4)F)N5C(=NN=N5)C

DOS

IR

Vibrations