Geometry & MOs

Info

ID:	194515
PubChem CID:	78547813
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	9.9
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

DOS

IR

Vibrations