Geometry & MOs

Info

ID:	36470
PubChem CID:	8007177
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-41.28
Dipole, Da:	5.4
IP(EA), eV:	-8.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations