Geometry & MOs

Info

ID:	307687
PubChem CID:	125308097
Reduced:	N2S2O3C27H28 (1)
Stoich.:	A2B2C3D27E28 (1)
Weight, g/mol:	353.188546
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	2.75
IP(EA), eV:	-8.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5R)-2-ethyl-3,5-dimethyl-1,5-dihydropyrazol-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](SC2=C1CCCC2)NC(=O)CSC3=C4C=CC=CC4=N[C@H]3C5=CC=CC=C5

DOS

IR

Vibrations