Geometry & MOs

Info

ID:	37406
PubChem CID:	8020738
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	4.3
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

DOS

IR

Vibrations