Geometry & MOs

Info

ID:	132644
PubChem CID:	51391653
Reduced:	SF2N6H14C16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	370.16166
ΔH_f, kcal/mol:	28.02
Dipole, Da:	3.12
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-tert-butyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=NN(C=C5)C(F)F

DOS

IR

Vibrations