Geometry & MOs

Info

ID:

46891

PubChem CID:

10528164

Reduced:

NO4H27C30 (1)

Stoich.:

AB4C27D30 (1)

Weight, g/mol:

465.251523

ΔHf, kcal/mol:

-70.06

Dipole, Da:

4.74

IP(EA), eV:

 -8.9(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3E,5R,7S,9E,11R,13R,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,12,18-trione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations