Geometry & MOs

Info

ID:	120949
PubChem CID:	50751693
Reduced:	SO4N5C20H27 (1)
Stoich.:	AB4C5D20E27 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	3.76
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations