Geometry & MOs

Info

ID:	37501
PubChem CID:	8021653
Reduced:	NCl2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	352.038148
ΔH_f, kcal/mol:	-115.37
Dipole, Da:	6.31
IP(EA), eV:	-9.48(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(N=C3)Cl)Cl)C

DOS

IR

Vibrations