Geometry & MOs

Info

ID:

168654

PubChem CID:

74998950

Reduced:

N6C21H23 (1)

Stoich.:

A6B21C23 (1)

Weight, g/mol:

732.477226

ΔHf, kcal/mol:

142.73

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.928917

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-10-hydroxyimino-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=CC=NNC4=NCCCN4

DOS

IR

Vibrations