Geometry & MOs

Info

ID:	35862
PubChem CID:	7980416
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	331.087829
ΔH_f, kcal/mol:	-211.54
Dipole, Da:	1.54
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations