Geometry & MOs

Info

ID:

413053

PubChem CID:

135085997

Reduced:

N3O6C33H35 (1)

Stoich.:

A3B6C33D35 (1)

Weight, g/mol:

676.14203

ΔHf, kcal/mol:

-204.41

Dipole, Da:

8.18

IP(EA), eV:

 -8.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,13R,16S)-19-bromo-5-hydroxy-21-methoxy-6,20,24-trimethyl-15-oxo-13-(phenylmethoxymethyl)-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-2,4(12),5,7(11),18,20,22-heptaen-22-yl] acetate

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@]34CCCN3C(=O)C2(C(=O)C5=C1N(C6=C5C=CC(=C6)OCC7=CC=CC=C7)C(=O)OC(C)(C)C)NC4=O)C

DOS

IR

Vibrations