Geometry & MOs

Info

ID:

190245

PubChem CID:

77976225

Reduced:

ClSN3O6H30C36 (1)

Stoich.:

ABC3D6E30F36 (1)

Weight, g/mol:

450.142701

ΔHf, kcal/mol:

-129.02

Dipole, Da:

6.94

IP(EA), eV:

 -9.24(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19-ethyl-19-hydroxy-3-oxido-14,18-dioxo-17-oxa-13-aza-3-azoniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl)methyl propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C=C(C(S3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)COC(=O)NC6=CC(=CC=C6)Cl

DOS

IR

Vibrations