Geometry & MOs

Info

ID:

397128

PubChem CID:

135029766

Reduced:

SN2O7C26H34 (1)

Stoich.:

AB2C7D26E34 (1)

Weight, g/mol:

366.157957

ΔHf, kcal/mol:

-299.65

Dipole, Da:

8.31

IP(EA), eV:

 -9.22(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S,14E,15S,16R,20S)-14-ethylidene-12-methyl-19-oxo-18-oxa-2-aza-12-azoniahexacyclo[10.6.2.01,9.03,8.09,16.015,20]icosa-3,5,7-triene-16-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@]2(C3=CC=CC=C3N(C24C[C@H]([C@H](C4)O)O)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations