Geometry & MOs

Info

ID:	179212
PubChem CID:	76452108
Reduced:	N3O7C13H23 (1)
Stoich.:	A3B7C13D23 (1)
Weight, g/mol:	279.084161
ΔH_f, kcal/mol:	-335.1
Dipole, Da:	3.91
IP(EA), eV:	-9.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CO)C(=O)O)NC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations