Geometry & MOs

Info

ID:	64034
PubChem CID:	26759729
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-159.26
Dipole, Da:	9.27
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C

DOS

IR

Vibrations