Geometry & MOs

Info

ID:

132696

PubChem CID:

51402514

Reduced:

ClSO2N4H16C19 (1)

Stoich.:

ABC2D4E16F19 (1)

Weight, g/mol:

366.250515

ΔHf, kcal/mol:

39.68

Dipole, Da:

4.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.856673

Charge, e:

 1

Chem-info

IUPAC name:

6-amino-N-methyl-2-oxo-7-[[(2S)-oxolan-2-yl]methyl]-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CC3=CC=CC=C3)[O-])Cl

DOS

IR

Vibrations