Geometry & MOs

Info

ID:	72513
PubChem CID:	48416256
Reduced:	NO6C23H29 (1)
Stoich.:	AB6C23D29 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-223.63
Dipole, Da:	5.73
IP(EA), eV:	-8.72(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COCCOC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations