Geometry & MOs

Info

ID:	147780
PubChem CID:	53787438
Reduced:	S2N3O6H19C23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	276.056863
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	6.63
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] propanoate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CO3)C(=O)O)SC4=CC=C(C=C4)CC5=NC=CO5

DOS

IR

Vibrations