Geometry & MOs

Info

ID:	237679
PubChem CID:	92720585
Reduced:	SN3O6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	429.081698
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	4.96
IP(EA), eV:	-8.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations