Geometry & MOs

Info

ID:

132678

PubChem CID:

51399461

Reduced:

SN4O5H17C19 (1)

Stoich.:

AB4C5D17E19 (1)

Weight, g/mol:

172.039853

ΔHf, kcal/mol:

-32.57

Dipole, Da:

11.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.084024

Charge, e:

 -1

Chem-info

IUPAC name:

2-methanimidoyl-3-oxoinden-1-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2N=C(C[C@H](S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)[O-]

DOS

IR

Vibrations