Geometry & MOs

Info

ID:	63908
PubChem CID:	26759459
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-150.07
Dipole, Da:	7.41
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations