Geometry & MOs

Info

ID:	237649
PubChem CID:	92720161
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	470.241687
ΔH_f, kcal/mol:	-180.2
Dipole, Da:	2.92
IP(EA), eV:	-9.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC

DOS

IR

Vibrations