Geometry & MOs

Info

ID:	234564
PubChem CID:	92298701
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	388.091535
ΔH_f, kcal/mol:	-139.45
Dipole, Da:	5.94
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CCC(=O)O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations