Geometry & MOs

Info

ID:	140624
PubChem CID:	52731677
Reduced:	OCl2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	389.06009
ΔH_f, kcal/mol:	11.94
Dipole, Da:	2.8
IP(EA), eV:	-9.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCN2C=C(C=N2)Cl

DOS

IR

Vibrations