Geometry & MOs

Info

ID:	237930
PubChem CID:	92722831
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	1.88
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-(3-propylsulfanylpropyl)benzamide

Drug info:

PubChemData

Smile

C1[C@@H]2C(=O)N(CC(=O)N2CS1)CC3=CC=C(C=C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations