Geometry & MOs

Info

ID:	37378
PubChem CID:	8020365
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	394.072035
ΔH_f, kcal/mol:	-213.83
Dipole, Da:	4.93
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(S1)NC(=O)COC(=O)[C@H]2C[C@H]2C)C(=O)OCC)C

DOS

IR

Vibrations