Geometry & MOs

Info

ID:	120956
PubChem CID:	50751721
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	418.167477
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	3.72
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations