Geometry & MOs

Info

ID:	69133
PubChem CID:	46519464
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	441.090703
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	3.72
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

DOS

IR

Vibrations