Geometry & MOs

Info

ID:

185835

PubChem CID:

77356749

Reduced:

N4O6C23H38 (1)

Stoich.:

A4B6C23D38 (1)

Weight, g/mol:

489.106667

ΔHf, kcal/mol:

-276.88

Dipole, Da:

2.33

IP(EA), eV:

 -9.02(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-[(3,4-dihydroxyphenyl)methylcarbamoyl]-5-(1-methyltetrazol-5-yl)sulfanyl-2-oxo-3,9-diazatricyclo[4.3.1.03,10]dec-4-en-4-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=COC2CCCC(C2C1=O)OCCCN(CCNC3CC(=O)N(C(=O)N3C)C)C(C)O

DOS

IR

Vibrations