Geometry & MOs

Info

ID:	37192
PubChem CID:	8018159
Reduced:	Cl2O3N5C17H17 (1)
Stoich.:	A2B3C5D17E17 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	2.1
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations