Geometry & MOs

Info

ID:	196443
PubChem CID:	78827211
Reduced:	OS2N5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	163.42
Dipole, Da:	5.3
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NOC(=N3)C4=CC=CC=C4)C5=CC=CS5

DOS

IR

Vibrations