Geometry & MOs

Info

ID:

44479

PubChem CID:

10503705

Reduced:

ClO3N5C21H44 (1)

Stoich.:

AB3C5D21E44 (1)

Weight, g/mol:

450.142701

ΔHf, kcal/mol:

-238.29

Dipole, Da:

4.13

IP(EA), eV:

 -9.68(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2R,3S)-2,3-dihydroxybutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCNC(=O)[C@H](CCCN=C([NH3+])N)NC(=O)OC(C)(C)C.[Cl-]

DOS

IR

Vibrations