Geometry & MOs

Info

ID:	167098
PubChem CID:	74779428
Reduced:	SO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	392.077514
ΔH_f, kcal/mol:	38.05
Dipole, Da:	8.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928554
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+]4CCCC4C5=NC=CS5

DOS

IR

Vibrations