Geometry & MOs

Info

ID:	203243
PubChem CID:	79798564
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	311.055147
ΔH_f, kcal/mol:	-165.87
Dipole, Da:	2.85
IP(EA), eV:	-9.5(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)NCC(=O)NC(C)(CC)C(=O)O

DOS

IR

Vibrations