Geometry & MOs

Info

ID:

52787

PubChem CID:

12015960

Reduced:

N4O8C35H52 (1)

Stoich.:

A4B8C35D52 (1)

Weight, g/mol:

488.263485

ΔHf, kcal/mol:

-382.94

Dipole, Da:

7.79

IP(EA), eV:

 -8.7(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6,14-dioxo-7,15-diazaspiro[4.12]heptadecane-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)N/C/2=C\CCC[C@H](NC(=O)C3(CCCC3)CCNC2=O)C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations