Geometry & MOs

Info

ID:

448

PubChem CID:

2778

Reduced:

NO13C35H63 (1)

Stoich.:

AB13C35D63 (1)

Weight, g/mol:

705.429941

ΔHf, kcal/mol:

-629.17

Dipole, Da:

2.74

IP(EA), eV:

 -8.65(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C(C(O1)OC2CC(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)OC)C)C)O)(C)O)C)C)OC3CC(C(C(O3)C)O)OC)O)N(C)C

DOS

IR

Vibrations