Geometry & MOs

Info

ID:	34510
PubChem CID:	7978598
Reduced:	Cl2O3N4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	398.091246
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	7.14
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=NC=C(C=C2)Cl)Cl

DOS

IR

Vibrations