Geometry & MOs

Info

ID:	54634
PubChem CID:	17389018
Reduced:	SN2O6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	286.164105
ΔH_f, kcal/mol:	-143.77
Dipole, Da:	2.24
IP(EA), eV:	-8.27(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-[4-(2-methoxyethylamino)-4-oxobutan-2-ylidene]amino]-N-propan-2-yloxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C\C4=CC=CO4)/S2)C

DOS

IR

Vibrations