Geometry & MOs

Info

ID:

84758

PubChem CID:

49869717

Reduced:

F3N3C21H22 (1)

Stoich.:

A3B3C21D22 (1)

Weight, g/mol:

723.404556

ΔHf, kcal/mol:

-108.48

Dipole, Da:

3.85

IP(EA), eV:

 -8.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1Z,4R,6E)-1-[[(2S)-2-[[(2Z,4Z,6E,8S,9S,11E)-13-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-12-methoxy-6,8-dimethyltrideca-2,4,6,11-tetraenoyl]amino]-3,3-dimethylbutanoyl]amino]-7-chloroocta-1,6-dien-4-yl] carbamate

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C4=CN=CC(=C4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations