Geometry & MOs

Info

ID:	32777
PubChem CID:	7848262
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	5.98
IP(EA), eV:	-9.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

DOS

IR

Vibrations