Geometry & MOs

Info

ID:	37173
PubChem CID:	8017879
Reduced:	Cl2N2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	5.26
IP(EA), eV:	-9.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations