Geometry & MOs

Info

ID:	36807
PubChem CID:	8012958
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	3.22
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CN(C(=O)COC(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C#N

DOS

IR

Vibrations