Geometry & MOs

Info

ID:	157540
PubChem CID:	56435618
Reduced:	FOS2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	362.214033
ΔH_f, kcal/mol:	0.58
Dipole, Da:	3.35
IP(EA), eV:	-8.72(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)F)C(=O)C2=CN=C(S2)C3=CC=CS3

DOS

IR

Vibrations