Geometry & MOs

Info

ID:	36804
PubChem CID:	8012895
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	366.080491
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	3.49
IP(EA), eV:	-9.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)[C@@H](NC3=O)CCC4=CC=CC=C4

DOS

IR

Vibrations