Geometry & MOs

Info

ID:	32399
PubChem CID:	7771933
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	2.86
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C(=O)[C@@]3(CCCC4=C3C=CS4)NC2=O

DOS

IR

Vibrations