Geometry & MOs

Info

ID:	141100
PubChem CID:	52817822
Reduced:	F2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	7.47
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC(=CC(=C2)F)F)C3=C(N=C(O3)C4=CC=CO4)C#N

DOS

IR

Vibrations