Geometry & MOs

Info

ID:

47437

PubChem CID:

10532663

Reduced:

ClF3N4O4H34C37 (1)

Stoich.:

AB3C4D4E34F37 (1)

Weight, g/mol:

692.236995

ΔHf, kcal/mol:

-245.76

Dipole, Da:

5.26

IP(EA), eV:

 -8.74(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-benzyl 2-O-methyl 4,8-bis[[(2S)-2-methoxy-2-phenylacetyl]oxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)N(C=C4CC(=O)N)CC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations