Geometry & MOs

Info

ID:	72544
PubChem CID:	48416288
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	4.07
IP(EA), eV:	-8.69(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations