Geometry & MOs

Info

ID:

84787

PubChem CID:

49869868

Reduced:

OC14H23 (2)

Stoich.:

AB14C23 (2)

Weight, g/mol:

986.44632

ΔHf, kcal/mol:

-153.12

Dipole, Da:

1.54

IP(EA), eV:

 -8.01(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-[[(1R,2R,5R,6S,7S,8R,9R,11R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-(3-bromoanilino)carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCC=C(C)C)O

DOS

IR

Vibrations