Geometry & MOs

Info

ID:	64581
PubChem CID:	29203059
Reduced:	FSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	2.78
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCOCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations