Geometry & MOs

Info

ID:	134891
PubChem CID:	51775680
Reduced:	SN2O6C23H30 (1)
Stoich.:	AB2C6D23E30 (1)
Weight, g/mol:	454.106227
ΔH_f, kcal/mol:	-231.83
Dipole, Da:	5.29
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[[2-(2,3-dichlorophenyl)acetyl]-methylamino]-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(C)C(=O)C2=C(C(=CC=C2)O)O

DOS

IR

Vibrations