Geometry & MOs

Info

ID:	175219
PubChem CID:	75868229
Reduced:	N4O4C20H31 (1)
Stoich.:	A4B4C20D31 (1)
Weight, g/mol:	387.04444
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865407
Charge, e:	0

Chem-info

IUPAC name:

imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate

Drug info:

PubChemData

Smile

CCCCN1C2=NC=[N+](C2C(=O)N(C1=O)CC(=O)OCCCC)C3CCCC3

DOS

IR

Vibrations