Geometry & MOs

Info

ID:	227776
PubChem CID:	87562461
Reduced:	S2N3O8C15H31 (1)
Stoich.:	A2B3C8D15E31 (1)
Weight, g/mol:	410.097014
ΔH_f, kcal/mol:	-346.88
Dipole, Da:	7.92
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4Z)-4-hydroxyimino-3-methyl-2-oxo-4-thiophen-2-ylbutanoate;(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine

Drug info:

PubChemData

Smile

C1CN(C(CN1CCS(=O)(=O)O)C(CCN2CCOCC2)S(=O)(=O)O)CCO

DOS

IR

Vibrations