Geometry & MOs

Info

ID:	176934
PubChem CID:	76114756
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	439.098411
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)C1C=NC2=C(C1=O)C=CC=C2OCCSC

DOS

IR

Vibrations