Geometry & MOs

Info

ID:	135964
PubChem CID:	51960140
Reduced:	SF2O3N4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	474.153718
ΔH_f, kcal/mol:	-175.3
Dipole, Da:	6.54
IP(EA), eV:	-8.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations