Geometry & MOs

Info

ID:

182001

PubChem CID:

76825876

Reduced:

FN6O13C61H77 (1)

Stoich.:

AB6C13D61E77 (1)

Weight, g/mol:

1150.527444

ΔHf, kcal/mol:

-464.64

Dipole, Da:

7.5

IP(EA), eV:

 -7.4(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(9-cyclopropyl-3-fluoro-1,7-dimethyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl] 4-[(13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-26-ylidene)methylamino]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN5CCN(CC5)CC6CCN(C6)C7=C(C8=C(C=C(C(=O)N8C=C7F)C)C9CC9)C)O)C

DOS

IR

Vibrations