Geometry & MOs

Info

ID:	63858
PubChem CID:	26759336
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	452.119521
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	7.32
IP(EA), eV:	-9.18(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

DOS

IR

Vibrations