Geometry & MOs

Info

ID:	37314
PubChem CID:	8019442
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	3.33
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

DOS

IR

Vibrations