Geometry & MOs

Info

ID:	32967
PubChem CID:	7849767
Reduced:	Cl2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	5.94
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations