Geometry & MOs

Info

ID:	153900
PubChem CID:	56313236
Reduced:	F3N3O5C21H24 (1)
Stoich.:	A3B3C5D21E24 (1)
Weight, g/mol:	442.084195
ΔH_f, kcal/mol:	-282.29
Dipole, Da:	3.75
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations