Geometry & MOs

Info

ID:	80386
PubChem CID:	49834256
Reduced:	ClFN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	416.086701
ΔH_f, kcal/mol:	-121.01
Dipole, Da:	6.77
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=C(NC2=O)C3=CC(=C(C=C3)OC)Cl)OCCN)F

DOS

IR

Vibrations