Geometry & MOs

Info

ID:	42389
PubChem CID:	8149502
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	3.13
IP(EA), eV:	-8.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-ethoxy-1-oxobutan-2-yl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations