Geometry & MOs

Info

ID:	244293
PubChem CID:	99319712
Reduced:	F2O3N4C26H28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	430.182733
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	4.38
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=CC=C4OC(F)F

DOS

IR

Vibrations