Geometry & MOs

Info

ID:	34663
PubChem CID:	7978793
Reduced:	ClN4O4C17H25 (1)
Stoich.:	AB4C4D17E25 (1)
Weight, g/mol:	353.150619
ΔH_f, kcal/mol:	-163.0
Dipole, Da:	3.41
IP(EA), eV:	-9.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)Cl

DOS

IR

Vibrations