Geometry & MOs

Info

ID:	135250
PubChem CID:	51840283
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	406.174001
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	2.56
IP(EA), eV:	-9.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(2-hydroxyacetyl)-[(5-methylfuran-2-yl)methyl]amino]-2-(2,4,6-trihydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl

DOS

IR

Vibrations