Geometry & MOs

Info

ID:	35257
PubChem CID:	7979593
Reduced:	ClSN2O6C14H17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	376.049585
ΔH_f, kcal/mol:	-246.93
Dipole, Da:	3.99
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)Cl)N

DOS

IR

Vibrations