Geometry & MOs

Info

ID:

233559

PubChem CID:

91145448

Reduced:

NO4C15H15 (2)

Stoich.:

AB4C15D15 (2)

Weight, g/mol:

431.085932

ΔHf, kcal/mol:

-288.98

Dipole, Da:

14.41

IP(EA), eV:

 -9.41(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-amino-2-[(1S)-4-(ethylcarbamoyl)-9-oxo-10-sulfooxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,5-dien-7-yl]ethylidene]carbamic acid

Drug info:

PubChemData

Smile

CCC1=C2CC3(CC4C(C(=O)C(C(=O)C4(C(=O)C3C(=O)C2=C(C=C1)O)O)C(=O)N)C)CNC(=O)C5=CC=CC=C5

DOS

IR

Vibrations