Geometry & MOs

Info

ID:	37491
PubChem CID:	8021553
Reduced:	NCl2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	380.069448
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	4.65
IP(EA), eV:	-9.4(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations