Geometry & MOs

Info

ID:	179281
PubChem CID:	76461165
Reduced:	O2N3C15H18 (2)
Stoich.:	A2B3C15D18 (2)
Weight, g/mol:	513.19738
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	3.51
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[4-propoxy-3-[[(4-thiophen-2-ylbenzoyl)amino]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CO)(CO)C(=O)N1CCC(CC1)C2=C3C(=O)CCN=C3N4C(N2)C(CN4)C5=CN=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations