Geometry & MOs

Info

ID:	32064
PubChem CID:	4265936
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	466.330777
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	6.33
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3-cyclopentyl-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations