Geometry & MOs

Info

ID:	317261
PubChem CID:	126635268
Reduced:	N5O12C36H57 (1)
Stoich.:	A5B12C36D57 (1)
Weight, g/mol:	286.95281
ΔH_f, kcal/mol:	-565.82
Dipole, Da:	10.57
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(5-fluoropyridin-3-yl)-N-methyl-1,3-thiazol-5-amine

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations