Geometry & MOs

Info

ID:	64588
PubChem CID:	29203106
Reduced:	FSO2N5C15H18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	2.0
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCOCC1)SC2=NN=C(N2N)C3=CC=CC=C3F

DOS

IR

Vibrations