Geometry & MOs

Info

ID:	72543
PubChem CID:	48416287
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(1,2,5-thiadiazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=CC(=C2)C#N)C(=O)OC

DOS

IR

Vibrations