Geometry & MOs

Info

ID:	188277
PubChem CID:	77692473
Reduced:	S2N4O5C27H30 (1)
Stoich.:	A2B4C5D27E30 (1)
Weight, g/mol:	494.25292
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	2.79
IP(EA), eV:	-9.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(2,3,4-trihydroxybutanoyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(CC3=CC(=CC=C3)C#N)NS(=O)(=O)C

DOS

IR

Vibrations