Geometry & MOs

Info

ID:	72384
PubChem CID:	48416113
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-203.85
Dipole, Da:	2.74
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-methylfuran-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CN2CCSC2=O)C(=O)OC

DOS

IR

Vibrations