Geometry & MOs

Info

ID:	168453
PubChem CID:	74969400
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	290.147786
ΔH_f, kcal/mol:	-27.1
Dipole, Da:	1.87
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-ethoxyimino-3-(propan-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CCC(=CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C3=CC(=CC=C3)C(=N)N

DOS

IR

Vibrations