Geometry & MOs

Info

ID:

163846

PubChem CID:

74380539

Reduced:

N3O6C22H23 (1)

Stoich.:

A3B6C22D23 (1)

Weight, g/mol:

919.30133

ΔHf, kcal/mol:

-133.77

Dipole, Da:

5.86

IP(EA), eV:

 -8.53(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diazanium;[6-[[3-[3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenyl]carbamoylamino]-5-hydroxy-4-phenylmethoxy-2-(sulfonatooxymethyl)oxan-3-yl] sulfate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C=CC(=O)NO)C(=O)OCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations