Geometry & MOs

Info

ID:	353383
PubChem CID:	127284759
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	3.74
IP(EA), eV:	-9.04(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2-(2-oxopyrimidin-1-yl)-N-(thiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations