Geometry & MOs

Info

ID:

190897

PubChem CID:

78072722

Reduced:

FO3N5H24C29 (1)

Stoich.:

AB3C5D24E29 (1)

Weight, g/mol:

1032.473203

ΔHf, kcal/mol:

8.21

Dipole, Da:

5.25

IP(EA), eV:

 -8.55(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;methyl 12-[11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-[[(2-methoxybenzoyl)amino]methyl]-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-16-ethyl-10-azatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaene-12-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C2=CC=C(O2)C)C3=CC4=C(C=C3)N(C(=C5C=C(C=CC5=O)F)N4)CC6C=CC(=O)N=C6

DOS

IR

Vibrations