Geometry & MOs

Info

ID:	34254
PubChem CID:	7890527
Reduced:	ClNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	399.019576
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	2.6
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations