Geometry & MOs

Info

ID:	31887
PubChem CID:	3722659
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	414.162482
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	10.32
IP(EA), eV:	-8.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1,2,5-oxadiazol-3-yl)-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]amino]-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCC3(CC2)CCN(C3)C(=O)C4CSC(=O)N4)C

DOS

IR

Vibrations