Geometry & MOs

Info

ID:	193179
PubChem CID:	78353281
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	348.071468
ΔH_f, kcal/mol:	-73.87
Dipole, Da:	2.63
IP(EA), eV:	-9.13(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-2-sulfanylidene-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CCN2C(=O)C3C(=NC2=S)C=CS3

DOS

IR

Vibrations