Geometry & MOs

Info

ID:

311114

PubChem CID:

126589446

Reduced:

N2O4C11H16 (1)

Stoich.:

A2B4C11D16 (1)

Weight, g/mol:

725.260939

ΔHf, kcal/mol:

-162.33

Dipole, Da:

3.23

IP(EA), eV:

-10.11(-1.64)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[2-[[(10S,23S)-18-fluoro-10-hydroxy-10,19-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)CCN1C(=O)C=CC1=O

DOS

IR

Vibrations