Geometry & MOs

Info

ID:	72522
PubChem CID:	48416266
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	359.173273
ΔH_f, kcal/mol:	-165.35
Dipole, Da:	6.57
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(5-ethylfuran-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CSC(=N2)NC(=O)C)C(=O)OC

DOS

IR

Vibrations