Geometry & MOs

Info

ID:	333192
PubChem CID:	127251740
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	447.103497
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	3.77
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)C4CCOCC4

DOS

IR

Vibrations