Geometry & MOs

Info

ID:	80336
PubChem CID:	49834083
Reduced:	O3F5N5H16C21 (1)
Stoich.:	A3B5C5D16E21 (1)
Weight, g/mol:	434.077279
ΔH_f, kcal/mol:	-239.66
Dipole, Da:	4.12
IP(EA), eV:	-9.45(-1.41)
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-(4-fluorophenyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=NN(N=C3)CC4=CC=C(O4)C(C)(F)F

DOS

IR

Vibrations