Geometry & MOs

Info

ID:	343324
PubChem CID:	127266497
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	8.57
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-3-(3-thiophen-3-ylprop-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)C=CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations