Geometry & MOs

Info

ID:	159112
PubChem CID:	57260395
Reduced:	NSO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	504.240641
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	5.2
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-[3-[(1-methoxy-2,3-dihydroinden-1-yl)oxy]propyl]-2-nitroethanimidamide

Drug info:

PubChemData

Smile

C1C2C(CN=C1C(=O)O)C=CS2

DOS

IR

Vibrations