Geometry & MOs

Info

ID:

220121

PubChem CID:

85165267

Reduced:

O5C18H31 (2)

Stoich.:

A5B18C31 (2)

Weight, g/mol:

654.445532

ΔHf, kcal/mol:

-531.99

Dipole, Da:

5.66

IP(EA), eV:

 -9.75(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[bis(2-hydroxyethyl)amino]ethyl]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(C(C(C1OC4C(C(C(C(O4)CO)O)O)O)O)O)C)CCC5C3(CCC5C(C)(CC=CC(C)(C)O)O)C)C)C

DOS

IR

Vibrations