Geometry & MOs

Info

ID:	178386
PubChem CID:	76319933
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	6.62
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-5-(3-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)O

DOS

IR

Vibrations