Geometry & MOs

Info

ID:	34460
PubChem CID:	7978491
Reduced:	Cl2N3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	398.081554
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	4.05
IP(EA), eV:	-9.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OCC(=O)NNC(=O)CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations