Geometry & MOs

Info

ID:	62817
PubChem CID:	26737008
Reduced:	N3O7H17C22 (1)
Stoich.:	A3B7C17D22 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	3.86
IP(EA), eV:	-9.53(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)C(=O)OC

DOS

IR

Vibrations