Geometry & MOs

Info

ID:	311404
PubChem CID:	126591592
Reduced:	N4O4S4C21H32 (1)
Stoich.:	A4B4C4D21E32 (1)
Weight, g/mol:	614.110967
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	6.78
IP(EA), eV:	-8.76(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-methyl-N,N'-bis[2-[(3-nitropyridin-2-yl)disulfanyl]ethyl]hexanediamide

Drug info:

PubChemData

Smile

CCC(C/C=C/C(C)C(=O)NCCSSCC)C(=O)NCCSSC1=C(C=CC=N1)[N+](=O)[O-]

DOS

IR

Vibrations