Geometry & MOs

Info

ID:

311149

PubChem CID:

126589632

Reduced:

N7O10C20H27 (1)

Stoich.:

A7B10C20D27 (1)

Weight, g/mol:

422.164185

ΔHf, kcal/mol:

-337.22

Dipole, Da:

4.34

IP(EA), eV:

 -9.5(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S)-10-ethyl-18-fluoro-9,10-dihydroxy-19-methyl-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-5-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CCN1C(=O)C=CC1=O

DOS

IR

Vibrations