Geometry & MOs

Info

ID:	80497
PubChem CID:	49834771
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	442.156495
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	6.67
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]triazol-4-yl]-5-[3-(dimethylamino)phenyl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1OC2=C(NC(=O)C3=C2C=CC(=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations