Geometry & MOs

Info

ID:	35654
PubChem CID:	7980151
Reduced:	OCl2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	371.100502
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984498
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=C(C=[NH+]2)Cl)Cl

DOS

IR

Vibrations