Geometry & MOs

Info

ID:	244299
PubChem CID:	99319740
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.31
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-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](C3CCCC3)NC(=O)C

DOS

IR

Vibrations