Geometry & MOs

Info

ID:	34101
PubChem CID:	7889814
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	5.5
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC(=O)NC

DOS

IR

Vibrations