Geometry & MOs

Info

ID:	342434
PubChem CID:	127265589
Reduced:	ClSN2O3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-106.39
Dipole, Da:	4.77
IP(EA), eV:	-9.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(1,5-dimethylpyrazol-4-yl)prop-2-enoylamino]bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1Cl)C(=O)N2CCCC(C2)S(=O)(=O)N

DOS

IR

Vibrations