Geometry & MOs

Info

ID:	307916
PubChem CID:	125310736
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	64.49
Dipole, Da:	4.88
IP(EA), eV:	-8.89(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-4-(4-ethoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/[C@@H]2C(=O)N=C3C=CC=CC3=N2

DOS

IR

Vibrations