Geometry & MOs

Info

ID:	36825
PubChem CID:	8013371
Reduced:	N2O7C16H22 (1)
Stoich.:	A2B7C16D22 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-270.42
Dipole, Da:	6.48
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations