Geometry & MOs

Info

ID:

166449

PubChem CID:

74689422

Reduced:

SN4O7C21H34 (1)

Stoich.:

AB4C7D21E34 (1)

Weight, g/mol:

411.214464

ΔHf, kcal/mol:

-317.51

Dipole, Da:

6.19

IP(EA), eV:

 -9.28(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

6-amino-7-(2-morpholin-4-ium-4-ylethyl)-2-oxo-N-prop-2-enyl-9-aza-1,7-diazoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)NC(=[NH+]CCCC(C(=O)[O-])NC(=O)OC(C)(C)C)N)C)C)OC

DOS

IR

Vibrations