Geometry & MOs

Info

ID:	36818
PubChem CID:	8013255
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	17.74
Dipole, Da:	2.76
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations