Geometry & MOs

Info

ID:	152101
PubChem CID:	56310958
Reduced:	SO4N6C20H22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-27.81
Dipole, Da:	5.09
IP(EA), eV:	-8.67(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-phenylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)N3C=NN=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations