Geometry & MOs

Info

ID:	147468
PubChem CID:	53787124
Reduced:	O4C57H96 (1)
Stoich.:	A4B57C96 (1)
Weight, g/mol:	306.042276
ΔH_f, kcal/mol:	-259.77
Dipole, Da:	3.14
IP(EA), eV:	-9.14(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-formamido-1,3-thiazol-4-yl)-2-(pyridin-2-ylmethoxyimino)acetic acid

Drug info:

PubChemData

Smile

CC.CC.CCC(C)(C)C1=CC=CC=C1.CCC(C)(C)C1=CC=CC=C1.CCC(C)(C)C1=CC=CC=C1.CCC(C)(C)C1=CC=CC=C1.CC(C)(OC)OCOC(C)(C)OC

DOS

IR

Vibrations