Geometry & MOs

Info

ID:

215248

PubChem CID:

85084424

Reduced:

Br2O5N7C33H41 (1)

Stoich.:

A2B5C7D33E41 (1)

Weight, g/mol:

775.440781

ΔHf, kcal/mol:

-191.72

Dipole, Da:

6.03

IP(EA), eV:

 -8.59(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-(dimethylamino)-3-hydroxy-6-methyl-5-(4-quinolin-3-ylbutoxy)oxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(N(C1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C(=O)O

DOS

IR

Vibrations