Geometry & MOs

Info

ID:	302420
PubChem CID:	124361674
Reduced:	N3O6C28H41 (1)
Stoich.:	A3B6C28D41 (1)
Weight, g/mol:	427.163102
ΔH_f, kcal/mol:	-291.74
Dipole, Da:	6.97
IP(EA), eV:	-9.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-9-oxoxanthen-3-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations