Geometry & MOs

Info

ID:

307830

PubChem CID:

125309689

Reduced:

N5O9C27H37 (1)

Stoich.:

A5B9C27D37 (1)

Weight, g/mol:

446.303224

ΔHf, kcal/mol:

-414.71

Dipole, Da:

7.47

IP(EA), eV:

 -9.47(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R,5'S,6R,7R,8S,9S,12R,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)N[C@H](CCCNC(=O)N)C(=O)O)NC(=O)CNC(=O)CC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

DOS

IR

Vibrations