Geometry & MOs

Info

ID:	34081
PubChem CID:	7889742
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	409.082934
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	8.37
IP(EA), eV:	-10.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC=NC=C3

DOS

IR

Vibrations