Geometry & MOs

Info

ID:	226094
PubChem CID:	87322656
Reduced:	OSN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	367.174336
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	3.98
IP(EA), eV:	-9.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[1-acetamido-2-[ethyl(methoxy)amino]-2-oxoethyl]amino]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1=C(N=CS1)CCCNC=O

DOS

IR

Vibrations