Geometry & MOs

Info

ID:	32693
PubChem CID:	7847174
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	3.5
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations