Geometry & MOs

Info

ID:	120950
PubChem CID:	50751694
Reduced:	SN4O5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	10.4
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroindol-1-yl-[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations