Geometry & MOs

Info

ID:	302410
PubChem CID:	124361642
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	455.194402
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	5.84
IP(EA), eV:	-8.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)[C@H]3CC4=CC=CC=C4CN3C2=O)OC

DOS

IR

Vibrations