Geometry & MOs

Info

ID:	218883
PubChem CID:	85090107
Reduced:	SN3O3C30H39 (1)
Stoich.:	AB3C3D30E39 (1)
Weight, g/mol:	522.0089
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	3.63
IP(EA), eV:	-8.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]-N-phenylpyridin-1-ium-3-carboxamide;dibromide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=NN=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)S1)C3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations