Geometry & MOs

Info

ID:	177200
PubChem CID:	76146244
Reduced:	FNSO4C19H24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	422.11611
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	7.95
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCC(CCO)C2=CC=CC=C2)F

DOS

IR

Vibrations