Geometry & MOs

Info

ID:	135570
PubChem CID:	51894634
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	369.118536
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	6.13
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[(1R)-1-[(2-fluorobenzoyl)amino]-2-methylpropyl]-4-phenyl-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CN1C(=NN(C1=O)CCNC(=O)[C@@H]2COC3=CC=CC=C3O2)C4=CC=CC=N4

DOS

IR

Vibrations