Geometry & MOs

Info

ID:	226103
PubChem CID:	87324641
Reduced:	Cl2S2N5O8H39C46 (1)
Stoich.:	A2B2C5D8E39F46 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-159.54
Dipole, Da:	10.58
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxyamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)S(=O)(=O)N2CC3=CC4=C(C=C3C[C@H]2C(=O)NC(CC5=CC=C(C=C5)C6=CC=C(C=C6)C#N)C(=O)O)OC[C@@H](O4)C7=CC=C(C=C7)OCC8=CC(=C(C=C8)Cl)Cl

DOS

IR

Vibrations