Geometry & MOs

Info

ID:

162503

PubChem CID:

57394879

Reduced:

BrN5H16C19 (1)

Stoich.:

AB5C16D19 (1)

Weight, g/mol:

673.440112

ΔHf, kcal/mol:

109.07

Dipole, Da:

3.26

IP(EA), eV:

-8.37(-0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3R,4S,5R,6S,7S,9S,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CC3=C(N=C(N=C32)N)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations