Geometry & MOs

Info

ID:	135082
PubChem CID:	51810741
Reduced:	SN2O6C25H34 (1)
Stoich.:	AB2C6D25E34 (1)
Weight, g/mol:	482.137527
ΔH_f, kcal/mol:	-257.33
Dipole, Da:	1.61
IP(EA), eV:	-9.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[[2-(2,3-dichlorophenyl)acetyl]-propylamino]-2-(2,4,6-trihydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(CCC)C(=O)C2=C(C=CC=C2O)O

DOS

IR

Vibrations