Geometry & MOs

Info

ID:

302618

PubChem CID:

124385311

Reduced:

NO4C15H19 (1)

Stoich.:

AB4C15D19 (1)

Weight, g/mol:

558.247835

ΔHf, kcal/mol:

-170.71

Dipole, Da:

7.91

IP(EA), eV:

 -9.23(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(19R)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2NC(=O)C)O)(C)C

DOS

IR

Vibrations