Geometry & MOs

Info

ID:

159859

PubChem CID:

57288826

Reduced:

SN3O3C18H23 (1)

Stoich.:

AB3C3D18E23 (1)

Weight, g/mol:

198.953757

ΔHf, kcal/mol:

-15.55

Dipole, Da:

6.83

IP(EA), eV:

-9.03(-1.59)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(CNC(C)CC1=CSC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations