Geometry & MOs

Info

ID:	37801
PubChem CID:	8024581
Reduced:	O2S3N4C14H22 (1)
Stoich.:	A2B3C4D14E22 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	2.79
IP(EA), eV:	-8.95(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C

DOS

IR

Vibrations