Geometry & MOs

Info

ID:	423178
PubChem CID:	135119054
Reduced:	SO4N5C16H25 (1)
Stoich.:	AB4C5D16E25 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	11.27
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-yl-5-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations