Geometry & MOs

Info

ID:	49768
PubChem CID:	11533777
Reduced:	FSO3N4C28H33 (1)
Stoich.:	ABC3D4E28F33 (1)
Weight, g/mol:	524.08077
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	7.97
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]-4-bromobenzamide

Drug info:

PubChemData

Smile

CCN(CC)C[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)OC)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations