Geometry & MOs

Info

ID:

315664

PubChem CID:

126628400

Reduced:

SN9O12C53H57 (1)

Stoich.:

AB9C12D53E57 (1)

Weight, g/mol:

560.171238

ΔHf, kcal/mol:

-359.53

Dipole, Da:

10.5

IP(EA), eV:

 -8.5(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,19-diethyl-7-hydroxy-19-[methyl(phenylmethoxy)phosphoryl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)N5CCN(CC5)C(=O)C6CCN(CC6)S(=O)(=O)C7=CC=C(C=C7)N8/C(=C/9\C=C(C(=CC9=O)O)C(C)C)/NN=C8C(=O)NCC)C2=NC2=C1C=C(C=C2)O

DOS

IR

Vibrations