Geometry & MOs

Info

ID:	243164
PubChem CID:	99216218
Reduced:	Cl2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	5.89
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylcarbamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CNC(=O)N1C2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations