Geometry & MOs

Info

ID:	376092
PubChem CID:	134222095
Reduced:	FO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	504.135508
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	7.82
IP(EA), eV:	-8.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-amino-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-oxo-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)N(C)[C@@H]2CNCC[C@@H]2F)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations