Geometry & MOs

Info

ID:	34654
PubChem CID:	7978782
Reduced:	ClSN3O5C17H24 (1)
Stoich.:	ABC3D5E17F24 (1)
Weight, g/mol:	408.120047
ΔH_f, kcal/mol:	-195.21
Dipole, Da:	11.36
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (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)OCC(=O)N[C@H]2CCS(=O)(=O)C2)Cl

DOS

IR

Vibrations