Geometry & MOs

Info

ID:	34461
PubChem CID:	7978492
Reduced:	ClSN4O4C16H19 (1)
Stoich.:	ABC4D4E16F19 (1)
Weight, g/mol:	380.070989
ΔH_f, kcal/mol:	-133.8
Dipole, Da:	4.39
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)Cl

DOS

IR

Vibrations