Geometry & MOs

Info

ID:	32513
PubChem CID:	7840639
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	3.01
IP(EA), eV:	-8.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-cyclohexylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations