Geometry & MOs

Info

ID:	34331
PubChem CID:	7890805
Reduced:	ClNSO5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-167.51
Dipole, Da:	7.58
IP(EA), eV:	-9.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations