Geometry & MOs

Info

ID:	70260
PubChem CID:	48409801
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-40.22
Dipole, Da:	5.18
IP(EA), eV:	-8.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CC=CC=C2SC

DOS

IR

Vibrations